1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea

C21H36N6OS — CID 151343589

IUPAC1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea
SMILESCC1CCC(N(C(=O)Nc2ncc(CN3CCNCC3)s2)C2CCNCC2)CC1
InChIInChI=1S/C21H36N6OS/c1-16-2-4-17(5-3-16)27(18-6-8-22-9-7-18)21(28)25-20-24-14-19(29-20)15-26-12-10-23-11-13-26/h14,16-18,22-23H,2-13,15H2,1H3,(H,24,25,28)
InChIKeyOKZJUFCSKVPNNO-UHFFFAOYSA-N
MW420.63 g/mol
LogP2.71
Rot. Bonds5

About 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea

1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea (PubChem CID 151343589) has the molecular formula C21H36N6OS and a molecular weight of 420.63 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea
PubChem CID151343589
Molecular FormulaC21H36N6OS
Molecular Weight420.63 g/mol
Exact Mass420.27
IUPAC Name1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea
SMILESCC1CCC(N(C(=O)Nc2ncc(CN3CCNCC3)s2)C2CCNCC2)CC1
InChIInChI=1S/C21H36N6OS/c1-16-2-4-17(5-3-16)27(18-6-8-22-9-7-18)21(28)25-20-24-14-19(29-20)15-26-12-10-23-11-13-26/h14,16-18,22-23H,2-13,15H2,1H3,(H,24,25,28)
InChIKeyOKZJUFCSKVPNNO-UHFFFAOYSA-N
XLogP2.71
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea?
The IUPAC name of 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea (CID 151343589) is 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea.
What is the SMILES notation for 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea?
The canonical SMILES for 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea is CC1CCC(N(C(=O)Nc2ncc(CN3CCNCC3)s2)C2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea?
The InChIKey is OKZJUFCSKVPNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6OS/c1-16-2-4-17(5-3-16)27(18-6-8-22-9-7-18)21(28)25-20-24-14-19(29-20)15-26-12-10-23-11-13-26/h14,16-18,22-23H,2-13,15H2,1H3,(H,24,25,28).
What are the key properties of 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea?
1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea has a molecular weight of 420.63 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]-1-piperidin-4-ylurea is sourced from PubChem (CID 151343589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).