N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide

C14H26N4OS — CID 79667927

IUPACN-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1snnc1C(C)C
InChIInChI=1S/C14H26N4OS/c1-6-7-18(9-14(4,5)8-15)13(19)12-11(10(2)3)16-17-20-12/h10H,6-9,15H2,1-5H3
InChIKeyLGNCRRTVGNPDRI-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.50
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide

N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide (PubChem CID 79667927) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide
PubChem CID79667927
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1snnc1C(C)C
InChIInChI=1S/C14H26N4OS/c1-6-7-18(9-14(4,5)8-15)13(19)12-11(10(2)3)16-17-20-12/h10H,6-9,15H2,1-5H3
InChIKeyLGNCRRTVGNPDRI-UHFFFAOYSA-N
XLogP2.50
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid
CID 65204756
2-[(4-propan-2-ylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261719
N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206802
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204223
N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 104555923
N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 104556329
N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 115310485
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide
CID 82725593
1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-one
CID 105086892
N-(3-hydroxypropyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
CID 65204482

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide (CID 79667927) is N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide is CCCN(CC(C)(C)CN)C(=O)c1snnc1C(C)C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide?
The InChIKey is LGNCRRTVGNPDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-6-7-18(9-14(4,5)8-15)13(19)12-11(10(2)3)16-17-20-12/h10H,6-9,15H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide has a molecular weight of 298.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 79667927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).