1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea

C14H21N5OS — CID 71870217

IUPAC1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCC(C)Cn1cc(NC(=O)NC(C)(C)c2nccs2)cn1
InChIInChI=1S/C14H21N5OS/c1-10(2)8-19-9-11(7-16-19)17-13(20)18-14(3,4)12-15-5-6-21-12/h5-7,9-10H,8H2,1-4H3,(H2,17,18,20)
InChIKeyOYCFXHKFAXWCMQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.05
Rot. Bonds5

About 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea

1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 71870217) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID71870217
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCC(C)Cn1cc(NC(=O)NC(C)(C)c2nccs2)cn1
InChIInChI=1S/C14H21N5OS/c1-10(2)8-19-9-11(7-16-19)17-13(20)18-14(3,4)12-15-5-6-21-12/h5-7,9-10H,8H2,1-4H3,(H2,17,18,20)
InChIKeyOYCFXHKFAXWCMQ-UHFFFAOYSA-N
XLogP3.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (CID 71870217) is 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is CC(C)Cn1cc(NC(=O)NC(C)(C)c2nccs2)cn1.
What is the InChIKey of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is OYCFXHKFAXWCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-10(2)8-19-9-11(7-16-19)17-13(20)18-14(3,4)12-15-5-6-21-12/h5-7,9-10H,8H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 307.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 71870217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).