N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide

C17H14ClN3OS — CID 100639938

IUPACN-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nc(-c2ccncc2Cl)cs1)C(=O)c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-21(17(22)12-5-3-2-4-6-12)10-16-20-15(11-23-16)13-7-8-19-9-14(13)18/h2-9,11H,10H2,1H3
InChIKeyNMOVNQGXQLKRQQ-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.13
Rot. Bonds4

About N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide

N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide (PubChem CID 100639938) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide
PubChem CID100639938
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nc(-c2ccncc2Cl)cs1)C(=O)c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-21(17(22)12-5-3-2-4-6-12)10-16-20-15(11-23-16)13-7-8-19-9-14(13)18/h2-9,11H,10H2,1H3
InChIKeyNMOVNQGXQLKRQQ-UHFFFAOYSA-N
XLogP4.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide (CID 100639938) is N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide is CN(Cc1nc(-c2ccncc2Cl)cs1)C(=O)c1ccccc1.
What is the InChIKey of N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide?
The InChIKey is NMOVNQGXQLKRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-21(17(22)12-5-3-2-4-6-12)10-16-20-15(11-23-16)13-7-8-19-9-14(13)18/h2-9,11H,10H2,1H3.
What are the key properties of N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide?
N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide has a molecular weight of 343.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 100639938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).