N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

C15H26N4S — CID 175936913

IUPACN-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCN(CC1CCNCC1)C1CCC(c2nncs2)CC1
InChIInChI=1S/C15H26N4S/c1-19(10-12-6-8-16-9-7-12)14-4-2-13(3-5-14)15-18-17-11-20-15/h11-14,16H,2-10H2,1H3
InChIKeyLAKWWTQQVOTWFV-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.50
Rot. Bonds4

About N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (PubChem CID 175936913) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
PubChem CID175936913
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCN(CC1CCNCC1)C1CCC(c2nncs2)CC1
InChIInChI=1S/C15H26N4S/c1-19(10-12-6-8-16-9-7-12)14-4-2-13(3-5-14)15-18-17-11-20-15/h11-14,16H,2-10H2,1H3
InChIKeyLAKWWTQQVOTWFV-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3,4-Thiadiazol-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridin-4-amine
CID 140492602
N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 163727078
N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 175819755
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 65727774
4-methyl-N-propyl-1-(1,3,4-thiadiazol-2-yl)pentan-2-amine
CID 80440698
N-ethyl-4-methyl-1-(1,3,4-thiadiazol-2-yl)pentan-2-amine
CID 80441350

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (CID 175936913) is N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is CN(CC1CCNCC1)C1CCC(c2nncs2)CC1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The InChIKey is LAKWWTQQVOTWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-19(10-12-6-8-16-9-7-12)14-4-2-13(3-5-14)15-18-17-11-20-15/h11-14,16H,2-10H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine has a molecular weight of 294.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 175936913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).