N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide

C12H15N5OS — CID 138056095

IUPACN-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)c1nnc(C(=O)NCc2cccnc2N)s1
InChIInChI=1S/C12H15N5OS/c1-7(2)11-16-17-12(19-11)10(18)15-6-8-4-3-5-14-9(8)13/h3-5,7H,6H2,1-2H3,(H2,13,14)(H,15,18)
InChIKeyCMYXZVZUVGZWST-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.57
Rot. Bonds4

About N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide

N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 138056095) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID138056095
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)c1nnc(C(=O)NCc2cccnc2N)s1
InChIInChI=1S/C12H15N5OS/c1-7(2)11-16-17-12(19-11)10(18)15-6-8-4-3-5-14-9(8)13/h3-5,7H,6H2,1-2H3,(H2,13,14)(H,15,18)
InChIKeyCMYXZVZUVGZWST-UHFFFAOYSA-N
XLogP1.57
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-amino-3-pyridinyl)methyl]-5-hydroxy-2-methylbenzamide
CID 137338363
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-methyl-3-piperidin-1-ylpropanamide
CID 125442236
(2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
CID 163340578
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide
CID 125443806
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
CID 116564663
N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 135091161
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 71856738
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
CID 138702079

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (CID 138056095) is N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is CC(C)c1nnc(C(=O)NCc2cccnc2N)s1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CMYXZVZUVGZWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7(2)11-16-17-12(19-11)10(18)15-6-8-4-3-5-14-9(8)13/h3-5,7H,6H2,1-2H3,(H2,13,14)(H,15,18).
What are the key properties of N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 138056095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).