3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C14H17ClN4OS — CID 103380008

IUPAC3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN4OS/c1-8(2)18-13(20)11-12(16)19-21-14(11)17-7-9-4-3-5-10(15)6-9/h3-6,8,17H,7H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyYKXOLWVLNJDWSA-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.13
Rot. Bonds5

About 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103380008) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103380008
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN4OS/c1-8(2)18-13(20)11-12(16)19-21-14(11)17-7-9-4-3-5-10(15)6-9/h3-6,8,17H,7H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyYKXOLWVLNJDWSA-UHFFFAOYSA-N
XLogP3.13
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383106
3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380000
3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382606
3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106044587
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143
3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
CID 106015602
3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106174673
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103378557
3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381225

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103380008) is 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCc1cccc(Cl)c1.
What is the InChIKey of 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is YKXOLWVLNJDWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-8(2)18-13(20)11-12(16)19-21-14(11)17-7-9-4-3-5-10(15)6-9/h3-6,8,17H,7H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).