1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea

C15H22N6OS — CID 138025331

IUPAC1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
SMILESCN(C)Cc1csc(CNC(=O)Nc2cc3n(n2)CCCC3)n1
InChIInChI=1S/C15H22N6OS/c1-20(2)9-11-10-23-14(17-11)8-16-15(22)18-13-7-12-5-3-4-6-21(12)19-13/h7,10H,3-6,8-9H2,1-2H3,(H2,16,18,19,22)
InChIKeyPNYAGSXSBJPTRF-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.06
Rot. Bonds5

About 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea

1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 138025331) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
PubChem CID138025331
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
SMILESCN(C)Cc1csc(CNC(=O)Nc2cc3n(n2)CCCC3)n1
InChIInChI=1S/C15H22N6OS/c1-20(2)9-11-10-23-14(17-11)8-16-15(22)18-13-7-12-5-3-4-6-21(12)19-13/h7,10H,3-6,8-9H2,1-2H3,(H2,16,18,19,22)
InChIKeyPNYAGSXSBJPTRF-UHFFFAOYSA-N
XLogP2.06
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 70723173
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91793812
1-Ethyl-3-(1-methyl-3-propylpyrazol-5-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea
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1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea
CID 138026009
1-(2-cyclopropylpyrazol-3-yl)-3-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]urea
CID 164639874
1-(2,5-Dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 71986297
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CID 72117561
1-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 95904300
1-(2,5-dimethylpyrazol-3-yl)-3-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 95904301
3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 167917965
3-(3-Ethyl-1-methylpyrazol-5-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71864934
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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea (CID 138025331) is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea is CN(C)Cc1csc(CNC(=O)Nc2cc3n(n2)CCCC3)n1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is PNYAGSXSBJPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-20(2)9-11-10-23-14(17-11)8-16-15(22)18-13-7-12-5-3-4-6-21(12)19-13/h7,10H,3-6,8-9H2,1-2H3,(H2,16,18,19,22).
What are the key properties of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 334.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 138025331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).