2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide

C15H17BrN2O2S2 — CID 55929254

IUPAC2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C15H17BrN2O2S2/c16-11-6-13(21-8-11)15-18-12(9-22-15)14(19)17-4-1-5-20-7-10-2-3-10/h6,8-10H,1-5,7H2,(H,17,19)
InChIKeyIKIVYSPBKQSBJI-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.18
Rot. Bonds8

About 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide

2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 55929254) has the molecular formula C15H17BrN2O2S2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide
PubChem CID55929254
Molecular FormulaC15H17BrN2O2S2
Molecular Weight401.35 g/mol
Exact Mass399.99
IUPAC Name2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C15H17BrN2O2S2/c16-11-6-13(21-8-11)15-18-12(9-22-15)14(19)17-4-1-5-20-7-10-2-3-10/h6,8-10H,1-5,7H2,(H,17,19)
InChIKeyIKIVYSPBKQSBJI-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
CID 154795317
5-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235171
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
2-(4-bromothiophen-2-yl)-N-[3-(thiophene-2-carbonylamino)propyl]-1,3-thiazole-4-carboxamide
CID 52816467
2-(4-bromothiophen-2-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 51136003
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119574434
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine
CID 104696672
ethyl N-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 47336082
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
2-(4-bromothiophen-2-yl)-N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60549928
2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 52714960

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide (CID 55929254) is 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide is O=C(NCCCOCC1CC1)c1csc(-c2cc(Br)cs2)n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IKIVYSPBKQSBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S2/c16-11-6-13(21-8-11)15-18-12(9-22-15)14(19)17-4-1-5-20-7-10-2-3-10/h6,8-10H,1-5,7H2,(H,17,19).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide?
2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55929254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).