3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C17H19N7OS — CID 86856076

IUPAC3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CN(C)C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cs1
InChIInChI=1S/C17H19N7OS/c1-11-18-14(10-26-11)9-23(2)17(25)19-13-5-3-12(4-6-13)16-20-21-22-24(16)15-7-8-15/h3-6,10,15H,7-9H2,1-2H3,(H,19,25)
InChIKeyHIUGHUIJKFNWOO-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.10
Rot. Bonds5

About 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 86856076) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID86856076
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CN(C)C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cs1
InChIInChI=1S/C17H19N7OS/c1-11-18-14(10-26-11)9-23(2)17(25)19-13-5-3-12(4-6-13)16-20-21-22-24(16)15-7-8-15/h3-6,10,15H,7-9H2,1-2H3,(H,19,25)
InChIKeyHIUGHUIJKFNWOO-UHFFFAOYSA-N
XLogP3.10
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 78874801
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55536860
methyl 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]benzoate
CID 86856106
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 31404594
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 39974905
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 134020184

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 86856076) is 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CN(C)C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cs1.
What is the InChIKey of 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is HIUGHUIJKFNWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-11-18-14(10-26-11)9-23(2)17(25)19-13-5-3-12(4-6-13)16-20-21-22-24(16)15-7-8-15/h3-6,10,15H,7-9H2,1-2H3,(H,19,25).
What are the key properties of 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 369.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 86856076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).