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

C14H19N5OS — CID 48783517

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C14H19N5OS/c1-8-12(9(2)19-18-8)16-13(20)17-14-15-10-6-4-3-5-7-11(10)21-14/h3-7H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyLABJCARINDUIPJ-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.40
Rot. Bonds2

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

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea (PubChem CID 48783517) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
PubChem CID48783517
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C14H19N5OS/c1-8-12(9(2)19-18-8)16-13(20)17-14-15-10-6-4-3-5-7-11(10)21-14/h3-7H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyLABJCARINDUIPJ-UHFFFAOYSA-N
XLogP3.40
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea (CID 48783517) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea is Cc1n[nH]c(C)c1NC(=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
The InChIKey is LABJCARINDUIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8-12(9(2)19-18-8)16-13(20)17-14-15-10-6-4-3-5-7-11(10)21-14/h3-7H2,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea has a molecular weight of 305.41 g/mol, XLogP of 3.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea is sourced from PubChem (CID 48783517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).