N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide

C16H13ClN2O3S2 — CID 4224171

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H13ClN2O3S2/c1-21-10-4-3-5-11(22-2)14(10)15(20)19-16-18-9(8-23-16)12-6-7-13(17)24-12/h3-8H,1-2H3,(H,18,19,20)
InChIKeyZDNSYXCVFUKJBL-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.79
Rot. Bonds5

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide (PubChem CID 4224171) has the molecular formula C16H13ClN2O3S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
PubChem CID4224171
Molecular FormulaC16H13ClN2O3S2
Molecular Weight380.88 g/mol
Exact Mass380.01
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H13ClN2O3S2/c1-21-10-4-3-5-11(22-2)14(10)15(20)19-16-18-9(8-23-16)12-6-7-13(17)24-12/h3-8H,1-2H3,(H,18,19,20)
InChIKeyZDNSYXCVFUKJBL-UHFFFAOYSA-N
XLogP4.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4181945
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5002157
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4062415
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 2671468
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 8892333
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7565311
2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5074710
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146697
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2574692

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide (CID 4224171) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
The InChIKey is ZDNSYXCVFUKJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S2/c1-21-10-4-3-5-11(22-2)14(10)15(20)19-16-18-9(8-23-16)12-6-7-13(17)24-12/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide has a molecular weight of 380.88 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 4224171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).