3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide

C18H23N5O2S — CID 47075949

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
SMILESCc1csc(CNC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)n1
InChIInChI=1S/C18H23N5O2S/c1-12-11-26-16(21-12)10-20-18(25)22-14-9-13(17(19)24)5-6-15(14)23-7-3-2-4-8-23/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,19,24)(H2,20,22,25)
InChIKeyMVCMHMTYFYOIFY-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.86
Rot. Bonds5

About 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide

3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide (PubChem CID 47075949) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
PubChem CID47075949
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
SMILESCc1csc(CNC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)n1
InChIInChI=1S/C18H23N5O2S/c1-12-11-26-16(21-12)10-20-18(25)22-14-9-13(17(19)24)5-6-15(14)23-7-3-2-4-8-23/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,19,24)(H2,20,22,25)
InChIKeyMVCMHMTYFYOIFY-UHFFFAOYSA-N
XLogP2.86
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide (CID 47075949) is 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide is Cc1csc(CNC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The InChIKey is MVCMHMTYFYOIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12-11-26-16(21-12)10-20-18(25)22-14-9-13(17(19)24)5-6-15(14)23-7-3-2-4-8-23/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,19,24)(H2,20,22,25).
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 47075949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).