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

C14H20N4OS2 — CID 116663820

IUPAC4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC(C)c2ccc(C)s2)s1
InChIInChI=1S/C14H20N4OS2/c1-4-7-16-14-18-12(15)11(21-14)13(19)17-9(3)10-6-5-8(2)20-10/h5-6,9H,4,7,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBYYNXFJFZSPHNG-UHFFFAOYSA-N
MW324.48 g/mol
LogP3.41
Rot. Bonds6

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

4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116663820) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116663820
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC(C)c2ccc(C)s2)s1
InChIInChI=1S/C14H20N4OS2/c1-4-7-16-14-18-12(15)11(21-14)13(19)17-9(3)10-6-5-8(2)20-10/h5-6,9H,4,7,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBYYNXFJFZSPHNG-UHFFFAOYSA-N
XLogP3.41
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ethaboxam
CID 11174640
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(1-thiophen-2-ylethyl)urea
CID 164611474
2-(cyclohexylamino)-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53365596
2-Ethylamino-4-trifluoromethyl-thiazole-5-carboxylic acid (cyano-thiophen-2-yl-methyl)-amide
CID 54408101
(R)-ethaboxam
CID 76962737
(S)-ethaboxam
CID 76962738
4-amino-2-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 116663914
4-amino-2-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 116663941
4-amino-2-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 116663944
4-amino-N-(4-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665047
4-amino-N-(2-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665096
4-amino-N-(3-fluorophenyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665103

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116663820) is 4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NC(C)c2ccc(C)s2)s1.
What is the InChIKey of 4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is BYYNXFJFZSPHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-4-7-16-14-18-12(15)11(21-14)13(19)17-9(3)10-6-5-8(2)20-10/h5-6,9H,4,7,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 324.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).