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

C12H11ClN6OS — CID 168580468

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline
SMILESCOc1ccc(-n2cnnn2)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C12H11ClN6OS/c1-20-11-3-2-8(19-7-16-17-18-19)4-10(11)14-5-9-6-15-12(13)21-9/h2-4,6-7,14H,5H2,1H3
InChIKeyOKJFPMKGBOLUCN-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.39
Rot. Bonds5

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline (PubChem CID 168580468) has the molecular formula C12H11ClN6OS and a molecular weight of 322.78 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline
PubChem CID168580468
Molecular FormulaC12H11ClN6OS
Molecular Weight322.78 g/mol
Exact Mass322.04
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline
SMILESCOc1ccc(-n2cnnn2)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C12H11ClN6OS/c1-20-11-3-2-8(19-7-16-17-18-19)4-10(11)14-5-9-6-15-12(13)21-9/h2-4,6-7,14H,5H2,1H3
InChIKeyOKJFPMKGBOLUCN-UHFFFAOYSA-N
XLogP2.39
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxybenzaldehyde
CID 168583808
2-(3-chloro-4-methoxyphenyl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-methylbenzotriazol-5-amine
CID 168582352
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,5-dimethoxybenzenecarbothioamide
CID 168580701
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
CID 81308331
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
CID 168583076
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine
CID 168583226
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-iodo-2-methoxybenzoic acid
CID 168583321
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(4-ethyltriazol-1-yl)-2-fluoroaniline
CID 168582124
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-3-methoxyaniline
CID 168582107
2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline (CID 168580468) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline is COc1ccc(-n2cnnn2)cc1NCc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline?
The InChIKey is OKJFPMKGBOLUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6OS/c1-20-11-3-2-8(19-7-16-17-18-19)4-10(11)14-5-9-6-15-12(13)21-9/h2-4,6-7,14H,5H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline has a molecular weight of 322.78 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 168580468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).