N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine

C8H12N2S — CID 126534457

IUPACN,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine
SMILESCC=Cc1sc(NC)nc1C
InChIInChI=1S/C8H12N2S/c1-4-5-7-6(2)10-8(9-3)11-7/h4-5H,1-3H3,(H,9,10)
InChIKeyXUKBIHPNDLPLKA-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.53
Rot. Bonds2

About N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine

N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine (PubChem CID 126534457) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine
PubChem CID126534457
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameN,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine
SMILESCC=Cc1sc(NC)nc1C
InChIInChI=1S/C8H12N2S/c1-4-5-7-6(2)10-8(9-3)11-7/h4-5H,1-3H3,(H,9,10)
InChIKeyXUKBIHPNDLPLKA-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine (CID 126534457) is N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine is CC=Cc1sc(NC)nc1C.
What is the InChIKey of N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine?
The InChIKey is XUKBIHPNDLPLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-4-5-7-6(2)10-8(9-3)11-7/h4-5H,1-3H3,(H,9,10).
What are the key properties of N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine?
N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine has a molecular weight of 168.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-prop-1-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126534457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).