1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea

C15H18N6OS — CID 138053886

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea
SMILESCC(C)(C)c1csc(CNC(=O)Nc2ccnc3ccnn23)n1
InChIInChI=1S/C15H18N6OS/c1-15(2,3)10-9-23-13(19-10)8-17-14(22)20-12-4-6-16-11-5-7-18-21(11)12/h4-7,9H,8H2,1-3H3,(H2,17,20,22)
InChIKeyHHPMDCNGEKGVRW-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.81
Rot. Bonds3

About 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea (PubChem CID 138053886) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea
PubChem CID138053886
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea
SMILESCC(C)(C)c1csc(CNC(=O)Nc2ccnc3ccnn23)n1
InChIInChI=1S/C15H18N6OS/c1-15(2,3)10-9-23-13(19-10)8-17-14(22)20-12-4-6-16-11-5-7-18-21(11)12/h4-7,9H,8H2,1-3H3,(H2,17,20,22)
InChIKeyHHPMDCNGEKGVRW-UHFFFAOYSA-N
XLogP2.81
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111104399
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941211
1-(4-tert-butylphenyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopropane-1-carboxamide
CID 56573417
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110007261
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide
CID 122562326
N-pyrazolo[1,5-a]pyrimidin-7-ylthiophene-3-carboxamide
CID 146121640
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
CID 119878910
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122572146
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
CID 129397802
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 167764172

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea (CID 138053886) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea is CC(C)(C)c1csc(CNC(=O)Nc2ccnc3ccnn23)n1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea?
The InChIKey is HHPMDCNGEKGVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-15(2,3)10-9-23-13(19-10)8-17-14(22)20-12-4-6-16-11-5-7-18-21(11)12/h4-7,9H,8H2,1-3H3,(H2,17,20,22).
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea has a molecular weight of 330.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-pyrazolo[1,5-a]pyrimidin-7-ylurea is sourced from PubChem (CID 138053886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).