1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea

C19H21N5OS — CID 72923986

IUPAC1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea
SMILESCc1nc(-c2cccc(NC(=O)N(C)Cc3n[nH]c4c3CCC4)c2)cs1
InChIInChI=1S/C19H21N5OS/c1-12-20-18(11-26-12)13-5-3-6-14(9-13)21-19(25)24(2)10-17-15-7-4-8-16(15)22-23-17/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyAQPNOFQSDUVJJV-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.99
Rot. Bonds4

About 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea

1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea (PubChem CID 72923986) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea
PubChem CID72923986
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea
SMILESCc1nc(-c2cccc(NC(=O)N(C)Cc3n[nH]c4c3CCC4)c2)cs1
InChIInChI=1S/C19H21N5OS/c1-12-20-18(11-26-12)13-5-3-6-14(9-13)21-19(25)24(2)10-17-15-7-4-8-16(15)22-23-17/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyAQPNOFQSDUVJJV-UHFFFAOYSA-N
XLogP3.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
1-methyl-3-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea
CID 122570891
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 72842905
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364047
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide
CID 119061772
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
2-(azetidin-3-ylidene)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675511

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea (CID 72923986) is 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea is Cc1nc(-c2cccc(NC(=O)N(C)Cc3n[nH]c4c3CCC4)c2)cs1.
What is the InChIKey of 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea?
The InChIKey is AQPNOFQSDUVJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-20-18(11-26-12)13-5-3-6-14(9-13)21-19(25)24(2)10-17-15-7-4-8-16(15)22-23-17/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea?
1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea has a molecular weight of 367.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea is sourced from PubChem (CID 72923986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).