2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide

C10H11N5OS — CID 66374374

IUPAC2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(CC#N)CC#N)cs1
InChIInChI=1S/C10H11N5OS/c1-7(13)9-14-8(6-17-9)10(16)15(4-2-11)5-3-12/h6-7H,4-5,13H2,1H3
InChIKeyJQXQNSANLXSTBN-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.65
Rot. Bonds4

About 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66374374) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
PubChem CID66374374
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(CC#N)CC#N)cs1
InChIInChI=1S/C10H11N5OS/c1-7(13)9-14-8(6-17-9)10(16)15(4-2-11)5-3-12/h6-7H,4-5,13H2,1H3
InChIKeyJQXQNSANLXSTBN-UHFFFAOYSA-N
XLogP0.65
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminoethyl)-N-(2-cyanoethyl)-1,3-thiazole-4-carboxamide
CID 66374975
2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide
CID 66388664
2-(1-aminoethyl)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 113468670
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 82949262
ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate
CID 66388898
2-(1-aminoethyl)-N-[(1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389389
2-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66389737
2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390687
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 65199875

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide (CID 66374374) is 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)N(CC#N)CC#N)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JQXQNSANLXSTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-7(13)9-14-8(6-17-9)10(16)15(4-2-11)5-3-12/h6-7H,4-5,13H2,1H3.
What are the key properties of 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66374374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).