4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine

C15H19N3S — CID 43673855

IUPAC4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
SMILESc1ccc(C2CCC(NCc3csnn3)CC2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-19-18-17-15/h1-5,11,13-14,16H,6-10H2
InChIKeyBHDCMNFNHOLMBV-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.35
Rot. Bonds4

About 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine

4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 43673855) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID43673855
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
SMILESc1ccc(C2CCC(NCc3csnn3)CC2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-19-18-17-15/h1-5,11,13-14,16H,6-10H2
InChIKeyBHDCMNFNHOLMBV-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine
CID 115908324
2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934433
3-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 43664134
tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate
CID 103923191
5-(thiadiazol-4-ylmethylamino)piperidin-2-one
CID 63662075
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
2,2,6,6-tetramethyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43664031
1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43748013
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
(3aS,4S,7aR)-2-benzyl-N-(thiadiazol-4-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 129374163
trans-(1R,2R)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 126791245
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine (CID 43673855) is 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine is c1ccc(C2CCC(NCc3csnn3)CC2)cc1.
What is the InChIKey of 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is BHDCMNFNHOLMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-19-18-17-15/h1-5,11,13-14,16H,6-10H2.
What are the key properties of 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43673855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).