N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide

C8H14N4OS — CID 82508904

IUPACN-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)C(C)CN
InChIInChI=1S/C8H14N4OS/c1-5(4-9)12(3)8(13)7-6(2)10-11-14-7/h5H,4,9H2,1-3H3
InChIKeyIAMXEPHGDPIAFF-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.27
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide

N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide (PubChem CID 82508904) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide
PubChem CID82508904
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)C(C)CN
InChIInChI=1S/C8H14N4OS/c1-5(4-9)12(3)8(13)7-6(2)10-11-14-7/h5H,4,9H2,1-3H3
InChIKeyIAMXEPHGDPIAFF-UHFFFAOYSA-N
XLogP0.27
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[methyl-(4-methylthiadiazole-5-carbonyl)amino]-3-phenylpropanoic acid
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N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
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N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
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N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405
N-(2-hydroxy-2-methylpropyl)-N,4-dimethylthiadiazole-5-carboxamide
CID 79381645
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide
CID 61039331
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide
CID 65205074
N-(2-chloroethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 65198931
N-(3-bromopropyl)-N,4-dimethylthiadiazole-5-carboxamide
CID 106441212
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CID 80660951

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide (CID 82508904) is N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide?
The InChIKey is IAMXEPHGDPIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(4-9)12(3)8(13)7-6(2)10-11-14-7/h5H,4,9H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide?
N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide is sourced from PubChem (CID 82508904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).