1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

C16H19N7OS — CID 126788978

IUPAC1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCc1cnc(C(C)(C)NC(=O)Nc2cccc(-n3nnnc3C)c2)s1
InChIInChI=1S/C16H19N7OS/c1-10-9-17-14(25-10)16(3,4)19-15(24)18-12-6-5-7-13(8-12)23-11(2)20-21-22-23/h5-9H,1-4H3,(H2,18,19,24)
InChIKeyIWTAQDGQCQLOQW-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.79
Rot. Bonds4

About 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 126788978) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID126788978
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCc1cnc(C(C)(C)NC(=O)Nc2cccc(-n3nnnc3C)c2)s1
InChIInChI=1S/C16H19N7OS/c1-10-9-17-14(25-10)16(3,4)19-15(24)18-12-6-5-7-13(8-12)23-11(2)20-21-22-23/h5-9H,1-4H3,(H2,18,19,24)
InChIKeyIWTAQDGQCQLOQW-UHFFFAOYSA-N
XLogP2.79
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579582
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55939907
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (CID 126788978) is 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is Cc1cnc(C(C)(C)NC(=O)Nc2cccc(-n3nnnc3C)c2)s1.
What is the InChIKey of 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is IWTAQDGQCQLOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-10-9-17-14(25-10)16(3,4)19-15(24)18-12-6-5-7-13(8-12)23-11(2)20-21-22-23/h5-9H,1-4H3,(H2,18,19,24).
What are the key properties of 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 357.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 126788978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).