N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine

C9H16N2S — CID 43756240

IUPACN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCc1ncsc1C(C)NC(C)C
InChIInChI=1S/C9H16N2S/c1-6(2)11-8(4)9-7(3)10-5-12-9/h5-6,8,11H,1-4H3
InChIKeyYQRNLMLZLGFIKH-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.51
Rot. Bonds3

About N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (PubChem CID 43756240) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
PubChem CID43756240
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCc1ncsc1C(C)NC(C)C
InChIInChI=1S/C9H16N2S/c1-6(2)11-8(4)9-7(3)10-5-12-9/h5-6,8,11H,1-4H3
InChIKeyYQRNLMLZLGFIKH-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (CID 43756240) is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is Cc1ncsc1C(C)NC(C)C.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is YQRNLMLZLGFIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6(2)11-8(4)9-7(3)10-5-12-9/h5-6,8,11H,1-4H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 43756240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).