N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide

C12H15N5OS — CID 106937223

IUPACN-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)c2ccncc2)s1
InChIInChI=1S/C12H15N5OS/c1-3-6-14-12-16-15-10(19-12)11(18)17(2)9-4-7-13-8-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)
InChIKeyULMJLBUPHKBKRZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.03
Rot. Bonds5

About N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide

N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106937223) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID106937223
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)c2ccncc2)s1
InChIInChI=1S/C12H15N5OS/c1-3-6-14-12-16-15-10(19-12)11(18)17(2)9-4-7-13-8-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)
InChIKeyULMJLBUPHKBKRZ-UHFFFAOYSA-N
XLogP2.03
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618566
N-methyl-5-(propylamino)-N-(pyridin-4-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614863
N-(3,5-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619362
N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618719
N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618395
N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616254
N-[(4-bromophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618727
5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615811
N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615832
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618069
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615665

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide (CID 106937223) is N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(C)c2ccncc2)s1.
What is the InChIKey of N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ULMJLBUPHKBKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-3-6-14-12-16-15-10(19-12)11(18)17(2)9-4-7-13-8-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide?
N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106937223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).