N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine

C10H17N3S — CID 60762357

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine
SMILESCc1[nH]ncc1CNC1CCSCC1
InChIInChI=1S/C10H17N3S/c1-8-9(7-12-13-8)6-11-10-2-4-14-5-3-10/h7,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyFOGVPLVOBVCQOI-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.70
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine (PubChem CID 60762357) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine
PubChem CID60762357
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine
SMILESCc1[nH]ncc1CNC1CCSCC1
InChIInChI=1S/C10H17N3S/c1-8-9(7-12-13-8)6-11-10-2-4-14-5-3-10/h7,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyFOGVPLVOBVCQOI-UHFFFAOYSA-N
XLogP1.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine (CID 60762357) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine is Cc1[nH]ncc1CNC1CCSCC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine?
The InChIKey is FOGVPLVOBVCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-9(7-12-13-8)6-11-10-2-4-14-5-3-10/h7,10-11H,2-6H2,1H3,(H,12,13).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine has a molecular weight of 211.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine is sourced from PubChem (CID 60762357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).