N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide

C11H18N4OS — CID 80615458

IUPACN-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)C2CCCC2)s1
InChIInChI=1S/C11H18N4OS/c1-3-12-11-14-13-9(17-11)10(16)15(2)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyJXPTZUJHCARFME-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.98
Rot. Bonds4

About N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide

N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615458) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615458
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)C2CCCC2)s1
InChIInChI=1S/C11H18N4OS/c1-3-12-11-14-13-9(17-11)10(16)15(2)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyJXPTZUJHCARFME-UHFFFAOYSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616290
N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615120
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615401
N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615923
N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102636762
N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615426
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616794
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80615458) is N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(C)C2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JXPTZUJHCARFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-12-11-14-13-9(17-11)10(16)15(2)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).