1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea

C16H26N4O2S — CID 71989949

IUPAC1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
SMILESCOCCN1CCCC(NC(=O)NC(c2nccs2)C2CC2)C1
InChIInChI=1S/C16H26N4O2S/c1-22-9-8-20-7-2-3-13(11-20)18-16(21)19-14(12-4-5-12)15-17-6-10-23-15/h6,10,12-14H,2-5,7-9,11H2,1H3,(H2,18,19,21)
InChIKeyGGMYLMVHWMORGR-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.00
Rot. Bonds7

About 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea

1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea (PubChem CID 71989949) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
PubChem CID71989949
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
SMILESCOCCN1CCCC(NC(=O)NC(c2nccs2)C2CC2)C1
InChIInChI=1S/C16H26N4O2S/c1-22-9-8-20-7-2-3-13(11-20)18-16(21)19-14(12-4-5-12)15-17-6-10-23-15/h6,10,12-14H,2-5,7-9,11H2,1H3,(H2,18,19,21)
InChIKeyGGMYLMVHWMORGR-UHFFFAOYSA-N
XLogP2.00
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea
CID 96527501
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 102558679
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 126784853
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea
CID 97222464
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235599
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235596
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 97060514
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea?
The IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea (CID 71989949) is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea?
The canonical SMILES for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea is COCCN1CCCC(NC(=O)NC(c2nccs2)C2CC2)C1.
What is the InChIKey of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea?
The InChIKey is GGMYLMVHWMORGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-22-9-8-20-7-2-3-13(11-20)18-16(21)19-14(12-4-5-12)15-17-6-10-23-15/h6,10,12-14H,2-5,7-9,11H2,1H3,(H2,18,19,21).
What are the key properties of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea?
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea has a molecular weight of 338.48 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea is sourced from PubChem (CID 71989949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).