4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C21H22N4O2S2 — CID 30091077

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCc1csc(SCc2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2)n1
InChIInChI=1S/C21H22N4O2S2/c1-15-13-28-21(23-15)29-14-16-2-4-17(5-3-16)20(26)24-18-6-7-19(22-12-18)25-8-10-27-11-9-25/h2-7,12-13H,8-11,14H2,1H3,(H,24,26)
InChIKeyYMTCJZSAABNFFX-UHFFFAOYSA-N
MW426.57 g/mol
LogP4.23
Rot. Bonds6

About 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 30091077) has the molecular formula C21H22N4O2S2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
PubChem CID30091077
Molecular FormulaC21H22N4O2S2
Molecular Weight426.57 g/mol
Exact Mass426.12
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCc1csc(SCc2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2)n1
InChIInChI=1S/C21H22N4O2S2/c1-15-13-28-21(23-15)29-14-16-2-4-17(5-3-16)20(26)24-18-6-7-19(22-12-18)25-8-10-27-11-9-25/h2-7,12-13H,8-11,14H2,1H3,(H,24,26)
InChIKeyYMTCJZSAABNFFX-UHFFFAOYSA-N
XLogP4.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
CID 27711486
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 134016385
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26899424
N-(3-acetamido-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55847335
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18140140
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24665525
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 72713921
4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide
CID 42754337
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34444486

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 30091077) is 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is Cc1csc(SCc2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is YMTCJZSAABNFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S2/c1-15-13-28-21(23-15)29-14-16-2-4-17(5-3-16)20(26)24-18-6-7-19(22-12-18)25-8-10-27-11-9-25/h2-7,12-13H,8-11,14H2,1H3,(H,24,26).
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 426.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 30091077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).