3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide

C13H16N4OS2 — CID 103379419

IUPAC3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCN(Cc1cccs1)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H16N4OS2/c1-17(7-9-3-2-6-19-9)13-10(11(14)16-20-13)12(18)15-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyUCZPIZBFTCZGEH-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.32
Rot. Bonds5

About 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103379419) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103379419
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCN(Cc1cccs1)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H16N4OS2/c1-17(7-9-3-2-6-19-9)13-10(11(14)16-20-13)12(18)15-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyUCZPIZBFTCZGEH-UHFFFAOYSA-N
XLogP2.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379422
3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379718
3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 114231035
3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381201
4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360412
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379420
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379544
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570921
3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 103381354

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide (CID 103379419) is 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide is CN(Cc1cccs1)c1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is UCZPIZBFTCZGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-17(7-9-3-2-6-19-9)13-10(11(14)16-20-13)12(18)15-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).