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

C12H20N4O2S — CID 114953077

IUPAC5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)CC2(O)CCCC2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-13-11-15-14-9(19-11)10(17)16(2)8-12(18)6-4-5-7-12/h18H,3-8H2,1-2H3,(H,13,15)
InChIKeyOIJFPPCGIHUTMN-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.35
Rot. Bonds5

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

5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114953077) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID114953077
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)CC2(O)CCCC2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-13-11-15-14-9(19-11)10(17)16(2)8-12(18)6-4-5-7-12/h18H,3-8H2,1-2H3,(H,13,15)
InChIKeyOIJFPPCGIHUTMN-UHFFFAOYSA-N
XLogP1.35
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615426
N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615923
5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 81073773
5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616290
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 103191126
N-[(5-bromothiophen-3-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616948
N-[(2-bromophenyl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616942
N-[(5-chlorothiophen-2-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615833
5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80616161
3-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 105071494

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 114953077) is 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(C)CC2(O)CCCC2)s1.
What is the InChIKey of 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OIJFPPCGIHUTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-13-11-15-14-9(19-11)10(17)16(2)8-12(18)6-4-5-7-12/h18H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114953077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).