1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea

C12H16N6OS — CID 154871139

IUPAC1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
SMILESO=C(Nc1nccs1)NC1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C12H16N6OS/c19-11(17-12-13-5-6-20-12)16-9-3-1-8(2-4-9)10-14-7-15-18-10/h5-9H,1-4H2,(H,14,15,18)(H2,13,16,17,19)
InChIKeyLJIUUSNVYGPOHE-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.11
Rot. Bonds3

About 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea

1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea (PubChem CID 154871139) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
PubChem CID154871139
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
SMILESO=C(Nc1nccs1)NC1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C12H16N6OS/c19-11(17-12-13-5-6-20-12)16-9-3-1-8(2-4-9)10-14-7-15-18-10/h5-9H,1-4H2,(H,14,15,18)(H2,13,16,17,19)
InChIKeyLJIUUSNVYGPOHE-UHFFFAOYSA-N
XLogP2.11
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide
CID 118785583
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
CID 167856211
1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
CID 166288440
N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 75424924
(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 96928240
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
N-(1,3-thiazol-2-yl)azetidine-2-carboxamide
CID 130992868
trans-(1R,2R)-2-(1,3-thiazol-2-ylcarbamoylamino)cycloheptane-1-carboxamide
CID 97018542
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 47299476
methyl (1S,2R,3R,4S)-3-(1,3-thiazol-2-ylcarbamoylamino)bicyclo[2.2.1]heptane-2-carboxylate
CID 124866147

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
The IUPAC name of 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea (CID 154871139) is 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea is O=C(Nc1nccs1)NC1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
The InChIKey is LJIUUSNVYGPOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c19-11(17-12-13-5-6-20-12)16-9-3-1-8(2-4-9)10-14-7-15-18-10/h5-9H,1-4H2,(H,14,15,18)(H2,13,16,17,19).
What are the key properties of 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea has a molecular weight of 292.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 154871139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).