4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

C13H18N4OS2 — CID 116671544

IUPAC4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCc2cscc2C)s1
InChIInChI=1S/C13H18N4OS2/c1-3-4-15-13-17-11(14)10(20-13)12(18)16-5-9-7-19-6-8(9)2/h6-7H,3-5,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCRCLBVQBBCMVBR-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.85
Rot. Bonds6

About 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116671544) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116671544
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCc2cscc2C)s1
InChIInChI=1S/C13H18N4OS2/c1-3-4-15-13-17-11(14)10(20-13)12(18)16-5-9-7-19-6-8(9)2/h6-7H,3-5,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCRCLBVQBBCMVBR-UHFFFAOYSA-N
XLogP2.85
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665607
4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666104
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116663961

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116671544) is 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NCc2cscc2C)s1.
What is the InChIKey of 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is CRCLBVQBBCMVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-3-4-15-13-17-11(14)10(20-13)12(18)16-5-9-7-19-6-8(9)2/h6-7H,3-5,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 310.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).