4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine

C8H14N2S — CID 58542761

IUPAC4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)C)sc1C
InChIInChI=1S/C8H14N2S/c1-5(2)9-8-10-6(3)7(4)11-8/h5H,1-4H3,(H,9,10)
InChIKeyUVGCAPZBFZFQIP-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.58
Rot. Bonds2

About 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine

4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 58542761) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID58542761
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)C)sc1C
InChIInChI=1S/C8H14N2S/c1-5(2)9-8-10-6(3)7(4)11-8/h5H,1-4H3,(H,9,10)
InChIKeyUVGCAPZBFZFQIP-UHFFFAOYSA-N
XLogP2.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,5-dimethyl-1,3-thiazole
CID 73238
2-Amino-4,5-dimethylthiazole hydrobromide
CID 73237
4,5-Dimethyl-1,3-thiazol-2-amine--hydrogen chloride (1/1)
CID 16211387
1-(Dimethyl-1,3-thiazol-2-yl)piperazine
CID 19915765
N,N,4,5-tetramethyl-1,3-thiazol-2-amine
CID 12910389
N,4,5-trimethyl-1,3-thiazol-2-amine
CID 17763823
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-isopropylurea
CID 16654058
2-[2-(4,5-Dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-diethylguanidine
CID 86779365
1-[(2S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]-N-methylmethanamine
CID 137955827
1-(4-Methyl-5-trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100177
4-Methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
CID 21100178
1-(5-Methyl-4-trifluoromethyl-thiazol-2-yl)-piperazine
CID 21100189

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 58542761) is 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine is Cc1nc(NC(C)C)sc1C.
What is the InChIKey of 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is UVGCAPZBFZFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5(2)9-8-10-6(3)7(4)11-8/h5H,1-4H3,(H,9,10).
What are the key properties of 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine?
4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58542761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).