N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

C15H23N3OS — CID 25468437

IUPACN-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(CN2CCCC2)cs1)C1CCCCC1
InChIInChI=1S/C15H23N3OS/c19-14(12-6-2-1-3-7-12)17-15-16-13(11-20-15)10-18-8-4-5-9-18/h11-12H,1-10H2,(H,16,17,19)
InChIKeyHCBNDSWJSSYMRO-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.26
Rot. Bonds4

About N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 25468437) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID25468437
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(CN2CCCC2)cs1)C1CCCCC1
InChIInChI=1S/C15H23N3OS/c19-14(12-6-2-1-3-7-12)17-15-16-13(11-20-15)10-18-8-4-5-9-18/h11-12H,1-10H2,(H,16,17,19)
InChIKeyHCBNDSWJSSYMRO-UHFFFAOYSA-N
XLogP3.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 25468437) is N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nc(CN2CCCC2)cs1)C1CCCCC1.
What is the InChIKey of N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is HCBNDSWJSSYMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c19-14(12-6-2-1-3-7-12)17-15-16-13(11-20-15)10-18-8-4-5-9-18/h11-12H,1-10H2,(H,16,17,19).
What are the key properties of N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 293.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 25468437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).