N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide

C10H18N4OS — CID 65204488

IUPACN-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCNCCCNC(=O)c1snnc1C(C)C
InChIInChI=1S/C10H18N4OS/c1-7(2)8-9(16-14-13-8)10(15)12-6-4-5-11-3/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyVWQQCNHRDQPOKH-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.00
Rot. Bonds6

About N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204488) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204488
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCNCCCNC(=O)c1snnc1C(C)C
InChIInChI=1S/C10H18N4OS/c1-7(2)8-9(16-14-13-8)10(15)12-6-4-5-11-3/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyVWQQCNHRDQPOKH-UHFFFAOYSA-N
XLogP1.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204185
N-(4-iodobutyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 106846443
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204345
N-(2-cyanoethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204219
N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 113430435
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 114171221
N-(2-amino-2-sulfanylideneethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204663
3-methyl-2-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65214959
2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
CID 114144262
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 113294808

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204488) is N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide is CNCCCNC(=O)c1snnc1C(C)C.
What is the InChIKey of N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is VWQQCNHRDQPOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(2)8-9(16-14-13-8)10(15)12-6-4-5-11-3/h7,11H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).