2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide

C13H19N5OS — CID 62786820

IUPAC2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)c1csc(N)n1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)10(6-18-5-4-15-8-18)17-11(19)9-7-20-12(14)16-9/h4-5,7-8,10H,6H2,1-3H3,(H2,14,16)(H,17,19)
InChIKeyCNNLRSTUULAAJM-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide

2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 62786820) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID62786820
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)c1csc(N)n1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)10(6-18-5-4-15-8-18)17-11(19)9-7-20-12(14)16-9/h4-5,7-8,10H,6H2,1-3H3,(H2,14,16)(H,17,19)
InChIKeyCNNLRSTUULAAJM-UHFFFAOYSA-N
XLogP1.77
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
CID 72913534
4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 78975141
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77083723
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 46978813

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide (CID 62786820) is 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide is CC(C)(C)C(Cn1ccnc1)NC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CNNLRSTUULAAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-13(2,3)10(6-18-5-4-15-8-18)17-11(19)9-7-20-12(14)16-9/h4-5,7-8,10H,6H2,1-3H3,(H2,14,16)(H,17,19).
What are the key properties of 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62786820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).