2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide

C17H19BrN2O2S — CID 71148032

IUPAC2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Br)sc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H19BrN2O2S/c1-11-15(23-17(18)19-11)16(21)20-13-8-5-9-14(13)22-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,20,21)/t13-,14-/m0/s1
InChIKeyWRHIPVOCWNYGEW-KBPBESRZSA-N
MW395.32 g/mol
LogP4.08
Rot. Bonds5

About 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide

2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide (PubChem CID 71148032) has the molecular formula C17H19BrN2O2S and a molecular weight of 395.32 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide
PubChem CID71148032
Molecular FormulaC17H19BrN2O2S
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Br)sc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H19BrN2O2S/c1-11-15(23-17(18)19-11)16(21)20-13-8-5-9-14(13)22-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,20,21)/t13-,14-/m0/s1
InChIKeyWRHIPVOCWNYGEW-KBPBESRZSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 71148030
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 71148118
2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]pyrimidine-5-carboxamide
CID 74230622
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide
CID 70737103
4-ethyl-2-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91777414
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2S)-2-phenylmethoxycyclopentyl]propanamide
CID 99854152
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
CID 143473195
4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 120573888
1-methyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70782413
N-(2-phenylmethoxycyclohexyl)prop-2-enamide
CID 139017249

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide (CID 71148032) is 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide is Cc1nc(Br)sc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WRHIPVOCWNYGEW-KBPBESRZSA-N. The full InChI is InChI=1S/C17H19BrN2O2S/c1-11-15(23-17(18)19-11)16(21)20-13-8-5-9-14(13)22-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,20,21)/t13-,14-/m0/s1.
What are the key properties of 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide?
2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 395.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71148032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).