2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide

C14H17N3OS2 — CID 3745790

IUPAC2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)Nc2ccc(SC)cc2)cs1
InChIInChI=1S/C14H17N3OS2/c1-3-11(15)14-17-12(8-20-14)13(18)16-9-4-6-10(19-2)7-5-9/h4-8,11H,3,15H2,1-2H3,(H,16,18)
InChIKeyHLSQQOSTZRVGJF-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.53
Rot. Bonds5

About 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide

2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 3745790) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID3745790
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)Nc2ccc(SC)cc2)cs1
InChIInChI=1S/C14H17N3OS2/c1-3-11(15)14-17-12(8-20-14)13(18)16-9-4-6-10(19-2)7-5-9/h4-8,11H,3,15H2,1-2H3,(H,16,18)
InChIKeyHLSQQOSTZRVGJF-UHFFFAOYSA-N
XLogP3.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3734938
2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3490174
2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3801274
2-(aminomethyl)-N-(4-butan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119739512
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934
2-(1-aminoethyl)-N-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390343
2-(3,4-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 9180409
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3830982
2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 66389323

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (CID 3745790) is 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is CCC(N)c1nc(C(=O)Nc2ccc(SC)cc2)cs1.
What is the InChIKey of 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HLSQQOSTZRVGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-3-11(15)14-17-12(8-20-14)13(18)16-9-4-6-10(19-2)7-5-9/h4-8,11H,3,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3745790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).