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

C14H18N4OS — CID 103379227

IUPAC3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCC(CCc1ccccc1)Nc1snc(N)c1C(N)=O
InChIInChI=1S/C14H18N4OS/c1-9(7-8-10-5-3-2-4-6-10)17-14-11(13(16)19)12(15)18-20-14/h2-6,9,17H,7-8H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyVGUSZZIRHPGCNY-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.26
Rot. Bonds6

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

3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103379227) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
PubChem CID103379227
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCC(CCc1ccccc1)Nc1snc(N)c1C(N)=O
InChIInChI=1S/C14H18N4OS/c1-9(7-8-10-5-3-2-4-6-10)17-14-11(13(16)19)12(15)18-20-14/h2-6,9,17H,7-8H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyVGUSZZIRHPGCNY-UHFFFAOYSA-N
XLogP2.26
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
CID 103379230
methyl 3-amino-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylate
CID 103382532
3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381225
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 103381354
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
CID 71807160

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide (CID 103379227) is 3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide is CC(CCc1ccccc1)Nc1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is VGUSZZIRHPGCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(7-8-10-5-3-2-4-6-10)17-14-11(13(16)19)12(15)18-20-14/h2-6,9,17H,7-8H2,1H3,(H2,15,18)(H2,16,19).
What are the key properties of 3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide?
3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).