N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine

C13H15N3OS — CID 114057327

IUPACN-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1coc(Sc2ncccc2CNC2CC2)n1
InChIInChI=1S/C13H15N3OS/c1-9-8-17-13(16-9)18-12-10(3-2-6-14-12)7-15-11-4-5-11/h2-3,6,8,11,15H,4-5,7H2,1H3
InChIKeyVOMWBNSSXVPKNS-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.78
Rot. Bonds5

About N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine

N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 114057327) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID114057327
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1coc(Sc2ncccc2CNC2CC2)n1
InChIInChI=1S/C13H15N3OS/c1-9-8-17-13(16-9)18-12-10(3-2-6-14-12)7-15-11-4-5-11/h2-3,6,8,11,15H,4-5,7H2,1H3
InChIKeyVOMWBNSSXVPKNS-UHFFFAOYSA-N
XLogP2.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 106926606
3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 114057301
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 106922823
[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807198
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 106926061
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
3-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 62283336
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine (CID 114057327) is N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine is Cc1coc(Sc2ncccc2CNC2CC2)n1.
What is the InChIKey of N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is VOMWBNSSXVPKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-8-17-13(16-9)18-12-10(3-2-6-14-12)7-15-11-4-5-11/h2-3,6,8,11,15H,4-5,7H2,1H3.
What are the key properties of N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 261.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114057327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).