N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine

C10H18N2S — CID 115091707

IUPACN-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCCCc1ncc(CCCNC)s1
InChIInChI=1S/C10H18N2S/c1-3-5-10-12-8-9(13-10)6-4-7-11-2/h8,11H,3-7H2,1-2H3
InChIKeyMCQVMELUBBSZFN-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.25
Rot. Bonds6

About N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine

N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 115091707) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID115091707
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCCCc1ncc(CCCNC)s1
InChIInChI=1S/C10H18N2S/c1-3-5-10-12-8-9(13-10)6-4-7-11-2/h8,11H,3-7H2,1-2H3
InChIKeyMCQVMELUBBSZFN-UHFFFAOYSA-N
XLogP2.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine (CID 115091707) is N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine is CCCc1ncc(CCCNC)s1.
What is the InChIKey of N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is MCQVMELUBBSZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-5-10-12-8-9(13-10)6-4-7-11-2/h8,11H,3-7H2,1-2H3.
What are the key properties of N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine?
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 115091707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).