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

C14H18N4OS — CID 103384284

IUPAC3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC(C)c1ccccc1
InChIInChI=1S/C14H18N4OS/c1-9(10-6-4-3-5-7-10)8-17-14-11(13(19)16-2)12(15)18-20-14/h3-7,9,17H,8H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyBGPCOKCQIXHAAG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.30
Rot. Bonds5

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

3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103384284) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide
PubChem CID103384284
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC(C)c1ccccc1
InChIInChI=1S/C14H18N4OS/c1-9(10-6-4-3-5-7-10)8-17-14-11(13(19)16-2)12(15)18-20-14/h3-7,9,17H,8H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyBGPCOKCQIXHAAG-UHFFFAOYSA-N
XLogP2.30
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
CID 103379210
3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
CID 103379230
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
N-(2-phenylpropyl)-2,1-benzothiazol-3-amine
CID 112689727
3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106174673
3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 103383950
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380656
3-amino-5-(1H-imidazol-5-ylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378956
3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383106

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide (CID 103384284) is 3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCC(C)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is BGPCOKCQIXHAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(10-6-4-3-5-7-10)8-17-14-11(13(19)16-2)12(15)18-20-14/h3-7,9,17H,8H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of 3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.30, 5 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-(2-phenylpropylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).