N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

C13H23N5OS — CID 80616910

IUPACN-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCN(C)C2CCCC2)s1
InChIInChI=1S/C13H23N5OS/c1-3-14-13-17-16-12(20-13)11(19)15-8-9-18(2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H,14,17)(H,15,19)
InChIKeySOXQBMKIJCNAFI-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.57
Rot. Bonds7

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

N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616910) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616910
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC NameN-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCN(C)C2CCCC2)s1
InChIInChI=1S/C13H23N5OS/c1-3-14-13-17-16-12(20-13)11(19)15-8-9-18(2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H,14,17)(H,15,19)
InChIKeySOXQBMKIJCNAFI-UHFFFAOYSA-N
XLogP1.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(ethylamino)benzamide
CID 63316486
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615923
5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614957
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80616910) is N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCCN(C)C2CCCC2)s1.
What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SOXQBMKIJCNAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-3-14-13-17-16-12(20-13)11(19)15-8-9-18(2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).