N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

C18H18N4OS2 — CID 51185647

IUPACN,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1csc(SCc2ccc(C(=O)N(CCC#N)CCC#N)cc2)n1
InChIInChI=1S/C18H18N4OS2/c1-14-12-24-18(21-14)25-13-15-4-6-16(7-5-15)17(23)22(10-2-8-19)11-3-9-20/h4-7,12H,2-3,10-11,13H2,1H3
InChIKeyJAZGNOVQKODXSV-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.01
Rot. Bonds8

About N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 51185647) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID51185647
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC NameN,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1csc(SCc2ccc(C(=O)N(CCC#N)CCC#N)cc2)n1
InChIInChI=1S/C18H18N4OS2/c1-14-12-24-18(21-14)25-13-15-4-6-16(7-5-15)17(23)22(10-2-8-19)11-3-9-20/h4-7,12H,2-3,10-11,13H2,1H3
InChIKeyJAZGNOVQKODXSV-UHFFFAOYSA-N
XLogP4.01
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 78796286
N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26899424
N-(dicyclopropylmethyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 49398291
N-(2-methylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27538951
N,N-bis(2-cyanoethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 166211949
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55960096
N-(3-cyanothiolan-3-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 60512824
N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55437968
N-[(2R)-1-methoxypropan-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 93237660
N,N-bis(2-cyanoethyl)pyridine-4-carboxamide
CID 51179878
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate
CID 16959167
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
CID 27711486

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (CID 51185647) is N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is Cc1csc(SCc2ccc(C(=O)N(CCC#N)CCC#N)cc2)n1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is JAZGNOVQKODXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-14-12-24-18(21-14)25-13-15-4-6-16(7-5-15)17(23)22(10-2-8-19)11-3-9-20/h4-7,12H,2-3,10-11,13H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 370.50 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 51185647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).