N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide

C16H23F2N3OS — CID 135153488

IUPACN,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(c1snnc1C(F)F)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H23F2N3OS/c17-15(18)13-14(23-20-19-13)16(22)21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,15H,1-10H2
InChIKeyWVQOWSLMFRWWEL-UHFFFAOYSA-N
MW343.44 g/mol
LogP4.58
Rot. Bonds4

About N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide

N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide (PubChem CID 135153488) has the molecular formula C16H23F2N3OS and a molecular weight of 343.44 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide
PubChem CID135153488
Molecular FormulaC16H23F2N3OS
Molecular Weight343.44 g/mol
Exact Mass343.15
IUPAC NameN,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(c1snnc1C(F)F)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H23F2N3OS/c17-15(18)13-14(23-20-19-13)16(22)21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,15H,1-10H2
InChIKeyWVQOWSLMFRWWEL-UHFFFAOYSA-N
XLogP4.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2804319
(4-Methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746451
(4-Methylthiadiazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 49718424
(4-Methyl-1,2,3-thiadiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092271
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
CID 107491828
N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492592
(4-Methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126822619
4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide
CID 136535944
[4-(Difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 154025248
N,N-dimethyl-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-azepanamine
CID 56887445
(4-Methylthiadiazol-5-yl)-piperidin-1-ylmethanone
CID 7576676
4-methyl-N,N-di(propan-2-yl)thiadiazole-5-carboxamide
CID 20383920

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide?
The IUPAC name of N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide (CID 135153488) is N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide is O=C(c1snnc1C(F)F)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide?
The InChIKey is WVQOWSLMFRWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3OS/c17-15(18)13-14(23-20-19-13)16(22)21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,15H,1-10H2.
What are the key properties of N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide?
N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 135153488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).