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

C13H18N4OS2 — CID 103379422

IUPAC3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)Cc1cccs1
InChIInChI=1S/C13H18N4OS2/c1-8(2)15-12(18)10-11(14)16-20-13(10)17(3)7-9-5-4-6-19-9/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyLRUIWOXHPPGFSF-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.56
Rot. Bonds5

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

3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103379422) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103379422
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)Cc1cccs1
InChIInChI=1S/C13H18N4OS2/c1-8(2)15-12(18)10-11(14)16-20-13(10)17(3)7-9-5-4-6-19-9/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyLRUIWOXHPPGFSF-UHFFFAOYSA-N
XLogP2.56
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379419
3-amino-5-[methyl(propyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381563
3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379722
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-5-[cyclopropyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381469
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379544
3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 103381354
3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106044587
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
3-amino-N-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103380614

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103379422) is 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1N(C)Cc1cccs1.
What is the InChIKey of 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is LRUIWOXHPPGFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-8(2)15-12(18)10-11(14)16-20-13(10)17(3)7-9-5-4-6-19-9/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 310.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).