4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine

C17H13ClN6OS — CID 25024578

IUPAC4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1csc(Nc2ccc(OCc3nn[nH]n3)cc2)n1
InChIInChI=1S/C17H13ClN6OS/c18-14-4-2-1-3-13(14)15-10-26-17(20-15)19-11-5-7-12(8-6-11)25-9-16-21-23-24-22-16/h1-8,10H,9H2,(H,19,20)(H,21,22,23,24)
InChIKeyHKQJKQLOPQRCBK-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.30
Rot. Bonds6

About 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine

4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 25024578) has the molecular formula C17H13ClN6OS and a molecular weight of 384.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID25024578
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC Name4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1csc(Nc2ccc(OCc3nn[nH]n3)cc2)n1
InChIInChI=1S/C17H13ClN6OS/c18-14-4-2-1-3-13(14)15-10-26-17(20-15)19-11-5-7-12(8-6-11)25-9-16-21-23-24-22-16/h1-8,10H,9H2,(H,19,20)(H,21,22,23,24)
InChIKeyHKQJKQLOPQRCBK-UHFFFAOYSA-N
XLogP4.30
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791675
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4-(2-chlorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791971
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
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N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126057069
4-(2-chlorophenyl)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791993
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 2428133
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
1-[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338292
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458
4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine (CID 25024578) is 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine is Clc1ccccc1-c1csc(Nc2ccc(OCc3nn[nH]n3)cc2)n1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is HKQJKQLOPQRCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6OS/c18-14-4-2-1-3-13(14)15-10-26-17(20-15)19-11-5-7-12(8-6-11)25-9-16-21-23-24-22-16/h1-8,10H,9H2,(H,19,20)(H,21,22,23,24).
What are the key properties of 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 384.85 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25024578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).