N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide

C14H26N4OS — CID 115317522

IUPACN-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C14H26N4OS/c1-9(2)10(15)7-8-18(6)13(19)11-12(14(3,4)5)16-17-20-11/h9-10H,7-8,15H2,1-6H3
InChIKeyIVOPYLYELVRVDN-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.28
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide

N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide (PubChem CID 115317522) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
PubChem CID115317522
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C14H26N4OS/c1-9(2)10(15)7-8-18(6)13(19)11-12(14(3,4)5)16-17-20-11/h9-10H,7-8,15H2,1-6H3
InChIKeyIVOPYLYELVRVDN-UHFFFAOYSA-N
XLogP2.28
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-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-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
CID 65210536
methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate
CID 65207341
4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide
CID 65210557
N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119660642
N-(2-bromo-3-methylbutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 113492979
1-(4-tert-butylthiadiazol-5-yl)-4-methylpentan-1-one
CID 105087003
4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide
CID 65207586
4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
CID 65210106
1-(4-tert-butylthiadiazol-5-yl)-2-ethylbutan-1-one
CID 105117394
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
1-(4-tert-butylthiadiazol-5-yl)-5-methylhexan-1-one
CID 105125605
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide (CID 115317522) is N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide is CC(C)C(N)CCN(C)C(=O)c1snnc1C(C)(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide?
The InChIKey is IVOPYLYELVRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-9(2)10(15)7-8-18(6)13(19)11-12(14(3,4)5)16-17-20-11/h9-10H,7-8,15H2,1-6H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide?
N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide has a molecular weight of 298.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 115317522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).