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

C18H30N4OS — CID 47543068

IUPACN-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
SMILESCc1csc(N2CCCN(C(C)C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C18H30N4OS/c1-14-13-24-18(19-14)22-10-6-9-21(11-12-22)15(2)17(23)20-16-7-4-3-5-8-16/h13,15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyOVCDDOIFYCMGNR-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.80
Rot. Bonds4

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

N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide (PubChem CID 47543068) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
PubChem CID47543068
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC NameN-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
SMILESCc1csc(N2CCCN(C(C)C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C18H30N4OS/c1-14-13-24-18(19-14)22-10-6-9-21(11-12-22)15(2)17(23)20-16-7-4-3-5-8-16/h13,15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyOVCDDOIFYCMGNR-UHFFFAOYSA-N
XLogP2.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 45261043
CID 45261043
CID 47073418
CID 47073418
CID 66573026
CID 66573026
CID 71798059
CID 71798059
CID 122149386
CID 122149386
CID 53015899
CID 53015899
CID 53158735
CID 53158735
CID 648883
CID 648883
CID 47187069
CID 47187069
CID 50978068
CID 50978068
CID 53015922
CID 53015922
CID 75418835
CID 75418835

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide (CID 47543068) is N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide is Cc1csc(N2CCCN(C(C)C(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide?
The InChIKey is OVCDDOIFYCMGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-14-13-24-18(19-14)22-10-6-9-21(11-12-22)15(2)17(23)20-16-7-4-3-5-8-16/h13,15-16H,3-12H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide?
N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide has a molecular weight of 350.53 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide is sourced from PubChem (CID 47543068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).