N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide

C14H16BrN3OS2 — CID 119574434

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1csc(-c2cc(Br)cs2)n1)C1CC1
InChIInChI=1S/C14H16BrN3OS2/c1-14(7-16,8-2-3-8)18-12(19)10-6-21-13(17-10)11-4-9(15)5-20-11/h4-6,8H,2-3,7,16H2,1H3,(H,18,19)
InChIKeyHZZXXANYHCFYQE-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.49
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 119574434) has the molecular formula C14H16BrN3OS2 and a molecular weight of 386.34 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID119574434
Molecular FormulaC14H16BrN3OS2
Molecular Weight386.34 g/mol
Exact Mass384.99
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1csc(-c2cc(Br)cs2)n1)C1CC1
InChIInChI=1S/C14H16BrN3OS2/c1-14(7-16,8-2-3-8)18-12(19)10-6-21-13(17-10)11-4-9(15)5-20-11/h4-6,8H,2-3,7,16H2,1H3,(H,18,19)
InChIKeyHZZXXANYHCFYQE-UHFFFAOYSA-N
XLogP3.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575796
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81485764
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575714
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromothiophene-2-carboxamide;hydrochloride
CID 119572469
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119572444
N-(1-amino-2-cyclopropylpropan-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119575724
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119573907
ethyl N-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 47336082
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119576000
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 119573611
N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 81486871
2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide
CID 55929254

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide (CID 119574434) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide is CC(CN)(NC(=O)c1csc(-c2cc(Br)cs2)n1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HZZXXANYHCFYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS2/c1-14(7-16,8-2-3-8)18-12(19)10-6-21-13(17-10)11-4-9(15)5-20-11/h4-6,8H,2-3,7,16H2,1H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 386.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119574434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).