1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea

C19H21N5OS — CID 112825128

IUPAC1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C19H21N5OS/c25-18(23-19-22-16-9-5-2-6-10-17(16)26-19)20-11-14-12-21-24(13-14)15-7-3-1-4-8-15/h1,3-4,7-8,12-13H,2,5-6,9-11H2,(H2,20,22,23,25)
InChIKeyDAAYWTMKORDCPJ-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.92
Rot. Bonds4

About 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea

1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea (PubChem CID 112825128) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
PubChem CID112825128
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C19H21N5OS/c25-18(23-19-22-16-9-5-2-6-10-17(16)26-19)20-11-14-12-21-24(13-14)15-7-3-1-4-8-15/h1,3-4,7-8,12-13H,2,5-6,9-11H2,(H2,20,22,23,25)
InChIKeyDAAYWTMKORDCPJ-UHFFFAOYSA-N
XLogP3.92
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)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

1-[(4-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 20966617
4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide
CID 112808240
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 31867617
1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78871810
1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47040323
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 112824597
1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 128605086
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
The IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea (CID 112825128) is 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea.
What is the SMILES notation for 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
The canonical SMILES for 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea is O=C(NCc1cnn(-c2ccccc2)c1)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
The InChIKey is DAAYWTMKORDCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c25-18(23-19-22-16-9-5-2-6-10-17(16)26-19)20-11-14-12-21-24(13-14)15-7-3-1-4-8-15/h1,3-4,7-8,12-13H,2,5-6,9-11H2,(H2,20,22,23,25).
What are the key properties of 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea has a molecular weight of 367.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea is sourced from PubChem (CID 112825128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).