N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

C10H17N5O2S — CID 114167724

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC(C)(C)C(N)=O)s1
InChIInChI=1S/C10H17N5O2S/c1-4-12-9-15-14-7(18-9)6(16)13-5-10(2,3)8(11)17/h4-5H2,1-3H3,(H2,11,17)(H,12,15)(H,13,16)
InChIKeyDXCVJDGLDWTGRM-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.21
Rot. Bonds6

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114167724) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID114167724
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC(C)(C)C(N)=O)s1
InChIInChI=1S/C10H17N5O2S/c1-4-12-9-15-14-7(18-9)6(16)13-5-10(2,3)8(11)17/h4-5H2,1-3H3,(H2,11,17)(H,12,15)(H,13,16)
InChIKeyDXCVJDGLDWTGRM-UHFFFAOYSA-N
XLogP0.21
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 106280130
5-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617001
N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357196
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
CID 115522177
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199
5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106900743
5-(ethylamino)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615864
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 114167724) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCC(C)(C)C(N)=O)s1.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DXCVJDGLDWTGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-4-12-9-15-14-7(18-9)6(16)13-5-10(2,3)8(11)17/h4-5H2,1-3H3,(H2,11,17)(H,12,15)(H,13,16).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114167724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).