1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C17H26N6OS — CID 111569565

IUPAC1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESC/N=C(/NCc1cn2ccsc2n1)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C17H26N6OS/c1-18-15(19-10-13-11-23-8-9-25-16(23)21-13)20-12-17(6-4-5-7-17)14(24)22(2)3/h8-9,11H,4-7,10,12H2,1-3H3,(H2,18,19,20)
InChIKeyXPNBYKVBVKAPRW-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.71
Rot. Bonds5

About 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111569565) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111569565
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESC/N=C(/NCc1cn2ccsc2n1)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C17H26N6OS/c1-18-15(19-10-13-11-23-8-9-25-16(23)21-13)20-12-17(6-4-5-7-17)14(24)22(2)3/h8-9,11H,4-7,10,12H2,1-3H3,(H2,18,19,20)
InChIKeyXPNBYKVBVKAPRW-UHFFFAOYSA-N
XLogP1.71
TPSA74.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[[N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111569626
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[(1-phenylcyclobutyl)methyl]guanidine
CID 111854846
1-[[[N-[(5-chlorothiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 119140427
1-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571170
N,N-dimethyl-1-[[[N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571453
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111639665
N,N-dimethyl-1-[[[N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111572131
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111393763
N,N-dimethyl-1-[[[N'-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111571530
N,N-dimethyl-1-[[[N'-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111569926
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962171
1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111161517

Frequently Asked Questions

What is the IUPAC name of 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111569565) is 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is C/N=C(/NCc1cn2ccsc2n1)NCC1(C(=O)N(C)C)CCCC1.
What is the InChIKey of 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is XPNBYKVBVKAPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-18-15(19-10-13-11-23-8-9-25-16(23)21-13)20-12-17(6-4-5-7-17)14(24)22(2)3/h8-9,11H,4-7,10,12H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111569565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).