N-propan-2-yl-N-propyl-1,3-thiazol-2-amine

C9H16N2S — CID 18342682

IUPACN-propan-2-yl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nccs1)C(C)C
InChIInChI=1S/C9H16N2S/c1-4-6-11(8(2)3)9-10-5-7-12-9/h5,7-8H,4,6H2,1-3H3
InChIKeyAVGJUQQSQLGDIJ-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.77
Rot. Bonds4

About N-propan-2-yl-N-propyl-1,3-thiazol-2-amine

N-propan-2-yl-N-propyl-1,3-thiazol-2-amine (PubChem CID 18342682) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-propan-2-yl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-propyl-1,3-thiazol-2-amine
PubChem CID18342682
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-propan-2-yl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nccs1)C(C)C
InChIInChI=1S/C9H16N2S/c1-4-6-11(8(2)3)9-10-5-7-12-9/h5,7-8H,4,6H2,1-3H3
InChIKeyAVGJUQQSQLGDIJ-UHFFFAOYSA-N
XLogP2.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-propan-2-yl-N-propyl-1,3-thiazol-2-amine (CID 18342682) is N-propan-2-yl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-propan-2-yl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nccs1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is AVGJUQQSQLGDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-6-11(8(2)3)9-10-5-7-12-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
N-propan-2-yl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 18342682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).