[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone

C11H12ClN3OS2 — CID 66553073

IUPAC[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone
SMILESCCCNc1nc(N)c(C(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C11H12ClN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h3-4H,2,5,13H2,1H3,(H,14,15)
InChIKeyDCRYFMZKITUEFS-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.49
Rot. Bonds5

About [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone

[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone (PubChem CID 66553073) has the molecular formula C11H12ClN3OS2 and a molecular weight of 301.82 g/mol. Its IUPAC name is [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone
PubChem CID66553073
Molecular FormulaC11H12ClN3OS2
Molecular Weight301.82 g/mol
Exact Mass301.01
IUPAC Name[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone
SMILESCCCNc1nc(N)c(C(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C11H12ClN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h3-4H,2,5,13H2,1H3,(H,14,15)
InChIKeyDCRYFMZKITUEFS-UHFFFAOYSA-N
XLogP3.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
CID 116674050
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107647427
4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid
CID 130580815
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663820
4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666120
4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116670549
4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663250
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone (CID 66553073) is [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone is CCCNc1nc(N)c(C(=O)c2ccc(Cl)s2)s1.
What is the InChIKey of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone?
The InChIKey is DCRYFMZKITUEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h3-4H,2,5,13H2,1H3,(H,14,15).
What are the key properties of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone?
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone has a molecular weight of 301.82 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 66553073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).