3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide

C10H16N4OS2 — CID 103380810

IUPAC3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCCSCC1
InChIInChI=1S/C10H16N4OS2/c1-12-9(15)7-8(11)13-17-10(7)14-3-2-5-16-6-4-14/h2-6H2,1H3,(H2,11,13)(H,12,15)
InChIKeyLUGDLXDIVSIZHO-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.03
Rot. Bonds2

About 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103380810) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide
PubChem CID103380810
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCCSCC1
InChIInChI=1S/C10H16N4OS2/c1-12-9(15)7-8(11)13-17-10(7)14-3-2-5-16-6-4-14/h2-6H2,1H3,(H2,11,13)(H,12,15)
InChIKeyLUGDLXDIVSIZHO-UHFFFAOYSA-N
XLogP1.03
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382135
3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103379615
3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103383454
3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide
CID 103382179
4-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazol-3-amine
CID 103361831
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380880
3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103381021
3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103383573
3-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103384788
3-amino-N-methyl-4-methylsulfanyl-5-(1,4-thiazepan-4-yl)thiophene-2-carboxamide
CID 103418099
3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide
CID 106327720
3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
CID 103418473

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide (CID 103380810) is 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N1CCCSCC1.
What is the InChIKey of 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is LUGDLXDIVSIZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-12-9(15)7-8(11)13-17-10(7)14-3-2-5-16-6-4-14/h2-6H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 272.40 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).