3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

C18H17N3OS2 — CID 18587106

IUPAC3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C18H17N3OS2/c1-12(2)24-15-5-3-4-14(10-15)17(22)21-18-20-16(11-23-18)13-6-8-19-9-7-13/h3-12H,1-2H3,(H,20,21,22)
InChIKeyKDWRXKDNCMIMMO-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.96
Rot. Bonds5

About 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 18587106) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID18587106
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC Name3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C18H17N3OS2/c1-12(2)24-15-5-3-4-14(10-15)17(22)21-18-20-16(11-23-18)13-6-8-19-9-7-13/h3-12H,1-2H3,(H,20,21,22)
InChIKeyKDWRXKDNCMIMMO-UHFFFAOYSA-N
XLogP4.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146668
4-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 16875244
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146697
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 139378000
4-fluoro-N-[3-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18899785
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 18587106) is 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is CC(C)Sc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KDWRXKDNCMIMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-12(2)24-15-5-3-4-14(10-15)17(22)21-18-20-16(11-23-18)13-6-8-19-9-7-13/h3-12H,1-2H3,(H,20,21,22).
What are the key properties of 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 355.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18587106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).