N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

C18H31N5OS — CID 75405170

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESCc1csc(N2CCCN(C(=O)NCC3(N(C)C)CCCC3)CC2)n1
InChIInChI=1S/C18H31N5OS/c1-15-13-25-17(20-15)23-10-6-9-22(11-12-23)16(24)19-14-18(21(2)3)7-4-5-8-18/h13H,4-12,14H2,1-3H3,(H,19,24)
InChIKeyVPZJGBIMFMGOOQ-UHFFFAOYSA-N
MW365.55 g/mol
LogP2.55
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide (PubChem CID 75405170) has the molecular formula C18H31N5OS and a molecular weight of 365.55 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
PubChem CID75405170
Molecular FormulaC18H31N5OS
Molecular Weight365.55 g/mol
Exact Mass365.22
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESCc1csc(N2CCCN(C(=O)NCC3(N(C)C)CCCC3)CC2)n1
InChIInChI=1S/C18H31N5OS/c1-15-13-25-17(20-15)23-10-6-9-22(11-12-23)16(24)19-14-18(21(2)3)7-4-5-8-18/h13H,4-12,14H2,1-3H3,(H,19,24)
InChIKeyVPZJGBIMFMGOOQ-UHFFFAOYSA-N
XLogP2.55
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

1-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819300
3-[Cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
CID 7283124
N-cyclopentyl-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 38270326
N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43229273
N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43665597
N-(2-methylbutan-2-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47073416
1-(Cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194037
1-[3-(Azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194275
N-(4-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide
CID 47194322
N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 47377713
N-(2-methylbutan-2-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 47542895
N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47543068

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide (CID 75405170) is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide is Cc1csc(N2CCCN(C(=O)NCC3(N(C)C)CCCC3)CC2)n1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is VPZJGBIMFMGOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5OS/c1-15-13-25-17(20-15)23-10-6-9-22(11-12-23)16(24)19-14-18(21(2)3)7-4-5-8-18/h13H,4-12,14H2,1-3H3,(H,19,24).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 365.55 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 75405170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).