2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine

C11H13N3S — CID 62058092

IUPAC2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(CNc2ncccc2N)s1
InChIInChI=1S/C11H13N3S/c1-8-4-5-9(15-8)7-14-11-10(12)3-2-6-13-11/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyYGSDKBFXXURNNH-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.65
Rot. Bonds3

About 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine

2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine (PubChem CID 62058092) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
PubChem CID62058092
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(CNc2ncccc2N)s1
InChIInChI=1S/C11H13N3S/c1-8-4-5-9(15-8)7-14-11-10(12)3-2-6-13-11/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyYGSDKBFXXURNNH-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964
N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 60962238
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474
2-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79893222
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 63023616
4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
CID 80818112
6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
CID 79825619
N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676368
3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
CID 114074409
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine (CID 62058092) is 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine is Cc1ccc(CNc2ncccc2N)s1.
What is the InChIKey of 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine?
The InChIKey is YGSDKBFXXURNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-4-5-9(15-8)7-14-11-10(12)3-2-6-13-11/h2-6H,7,12H2,1H3,(H,13,14).
What are the key properties of 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine?
2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine has a molecular weight of 219.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 62058092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).