3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide

C15H23N3O2S — CID 159912265

IUPAC3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide
SMILESCc1nscc1C(=O)CC1CCC(NC(=O)CCN)CC1
InChIInChI=1S/C15H23N3O2S/c1-10-13(9-21-18-10)14(19)8-11-2-4-12(5-3-11)17-15(20)6-7-16/h9,11-12H,2-8,16H2,1H3,(H,17,20)
InChIKeyNXIDZHNOKWSVOM-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.05
Rot. Bonds6

About 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide

3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide (PubChem CID 159912265) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide
PubChem CID159912265
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide
SMILESCc1nscc1C(=O)CC1CCC(NC(=O)CCN)CC1
InChIInChI=1S/C15H23N3O2S/c1-10-13(9-21-18-10)14(19)8-11-2-4-12(5-3-11)17-15(20)6-7-16/h9,11-12H,2-8,16H2,1H3,(H,17,20)
InChIKeyNXIDZHNOKWSVOM-UHFFFAOYSA-N
XLogP2.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide?
The IUPAC name of 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide (CID 159912265) is 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide?
The canonical SMILES for 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide is Cc1nscc1C(=O)CC1CCC(NC(=O)CCN)CC1.
What is the InChIKey of 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide?
The InChIKey is NXIDZHNOKWSVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-13(9-21-18-10)14(19)8-11-2-4-12(5-3-11)17-15(20)6-7-16/h9,11-12H,2-8,16H2,1H3,(H,17,20).
What are the key properties of 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide?
3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide has a molecular weight of 309.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide is sourced from PubChem (CID 159912265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).