5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide

C16H17ClN6O2S — CID 47872869

IUPAC5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCCc1nc(CN(C)C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)cs1
InChIInChI=1S/C16H17ClN6O2S/c1-4-15-19-10(8-26-15)7-22(2)16(24)11-5-12(17)13(6-14(11)25-3)23-9-18-20-21-23/h5-6,8-9H,4,7H2,1-3H3
InChIKeyKJNBGRNEIZFNJI-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.62
Rot. Bonds6

About 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide

5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 47872869) has the molecular formula C16H17ClN6O2S and a molecular weight of 392.87 g/mol. Its IUPAC name is 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID47872869
Molecular FormulaC16H17ClN6O2S
Molecular Weight392.87 g/mol
Exact Mass392.08
IUPAC Name5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCCc1nc(CN(C)C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)cs1
InChIInChI=1S/C16H17ClN6O2S/c1-4-15-19-10(8-26-15)7-22(2)16(24)11-5-12(17)13(6-14(11)25-3)23-9-18-20-21-23/h5-6,8-9H,4,7H2,1-3H3
InChIKeyKJNBGRNEIZFNJI-UHFFFAOYSA-N
XLogP2.62
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 87000624
5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55775549
5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55775072
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55919139
N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87005767
3,4,5-triethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
CID 47871180
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 47871223
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]methanone
CID 120809267
4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride
CID 119813032
5-chloro-2-methoxy-N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512620

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (CID 47872869) is 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is CCc1nc(CN(C)C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)cs1.
What is the InChIKey of 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is KJNBGRNEIZFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O2S/c1-4-15-19-10(8-26-15)7-22(2)16(24)11-5-12(17)13(6-14(11)25-3)23-9-18-20-21-23/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 392.87 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 47872869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).