1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C16H24N6OS — CID 71868005

IUPAC1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CN(C)C(=O)NC2CCCN(c3cnn(C)c3)C2)cs1
InChIInChI=1S/C16H24N6OS/c1-12-18-14(11-24-12)8-20(2)16(23)19-13-5-4-6-22(9-13)15-7-17-21(3)10-15/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,19,23)
InChIKeyROXLNQGOAROXSQ-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.00
Rot. Bonds4

About 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 71868005) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID71868005
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CN(C)C(=O)NC2CCCN(c3cnn(C)c3)C2)cs1
InChIInChI=1S/C16H24N6OS/c1-12-18-14(11-24-12)8-20(2)16(23)19-13-5-4-6-22(9-13)15-7-17-21(3)10-15/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,19,23)
InChIKeyROXLNQGOAROXSQ-UHFFFAOYSA-N
XLogP2.00
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
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CID 97058866
1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 126767612
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 111507767
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
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N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 71868005) is 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CN(C)C(=O)NC2CCCN(c3cnn(C)c3)C2)cs1.
What is the InChIKey of 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is ROXLNQGOAROXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-12-18-14(11-24-12)8-20(2)16(23)19-13-5-4-6-22(9-13)15-7-17-21(3)10-15/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,19,23).
What are the key properties of 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 348.48 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 71868005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).