N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide

C14H21N3O2S — CID 152571746

IUPACN-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide
SMILESCCC(=O)N(CC1CCCCC1)C(=O)c1snnc1C
InChIInChI=1S/C14H21N3O2S/c1-3-12(18)17(9-11-7-5-4-6-8-11)14(19)13-10(2)15-16-20-13/h11H,3-9H2,1-2H3
InChIKeyYRPVITOLJJDYNV-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.81
Rot. Bonds4

About N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide

N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide (PubChem CID 152571746) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide
PubChem CID152571746
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide
SMILESCCC(=O)N(CC1CCCCC1)C(=O)c1snnc1C
InChIInChI=1S/C14H21N3O2S/c1-3-12(18)17(9-11-7-5-4-6-8-11)14(19)13-10(2)15-16-20-13/h11H,3-9H2,1-2H3
InChIKeyYRPVITOLJJDYNV-UHFFFAOYSA-N
XLogP2.81
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide 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

(4-Methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746451
N-[(2-chlorocyclohexyl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 114301459
4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95209726
N-[(3,3-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 154857529
N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 154857562
4-methyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]thiadiazole-5-carboxamide
CID 154862356
1-Ethyl-4-(3-{1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-piperidinyl}propanoyl)piperazine
CID 31015603
[(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42378253
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3-thiadiazole-5-carboxamide
CID 45558233
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 53017112
N,N-dimethyl-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-azepanamine
CID 56887445
({1-[(4-Methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperidin-4-yl}methyl)amine
CID 61786910

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide (CID 152571746) is N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide is CCC(=O)N(CC1CCCCC1)C(=O)c1snnc1C.
What is the InChIKey of N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide?
The InChIKey is YRPVITOLJJDYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-12(18)17(9-11-7-5-4-6-8-11)14(19)13-10(2)15-16-20-13/h11H,3-9H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide?
N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methyl-N-propanoylthiadiazole-5-carboxamide is sourced from PubChem (CID 152571746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).