3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide

C15H20N4OS — CID 103379230

IUPAC3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC(C)CCc1ccccc1
InChIInChI=1S/C15H20N4OS/c1-10(8-9-11-6-4-3-5-7-11)18-15-12(14(20)17-2)13(16)19-21-15/h3-7,10,18H,8-9H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeySVXCGVPJSLFBIR-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.52
Rot. Bonds6

About 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103379230) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
PubChem CID103379230
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC(C)CCc1ccccc1
InChIInChI=1S/C15H20N4OS/c1-10(8-9-11-6-4-3-5-7-11)18-15-12(14(20)17-2)13(16)19-21-15/h3-7,10,18H,8-9H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeySVXCGVPJSLFBIR-UHFFFAOYSA-N
XLogP2.52
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
CID 103379227
3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide
CID 103384284
3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381225
5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100655116
methyl 3-amino-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylate
CID 103382532
3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
CID 103379210
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
CID 71807160
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide (CID 103379230) is 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NC(C)CCc1ccccc1.
What is the InChIKey of 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is SVXCGVPJSLFBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(8-9-11-6-4-3-5-7-11)18-15-12(14(20)17-2)13(16)19-21-15/h3-7,10,18H,8-9H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).