1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine

C9H13FN2S — CID 84775893

IUPAC1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESCC(C)(F)c1nc(C2(N)CC2)cs1
InChIInChI=1S/C9H13FN2S/c1-8(2,10)7-12-6(5-13-7)9(11)3-4-9/h5H,3-4,11H2,1-2H3
InChIKeyZJIORCMWJKVMMF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.30
Rot. Bonds2

About 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine

1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine (PubChem CID 84775893) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine
PubChem CID84775893
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESCC(C)(F)c1nc(C2(N)CC2)cs1
InChIInChI=1S/C9H13FN2S/c1-8(2,10)7-12-6(5-13-7)9(11)3-4-9/h5H,3-4,11H2,1-2H3
InChIKeyZJIORCMWJKVMMF-UHFFFAOYSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Cyclopropyl-1,3-thiazol-2-yl)ethan-1-amine
CID 5207560
(4-Cyclopropyl-1,3-thiazol-2-yl)methanamine
CID 3896896
3-(4-Cyclopropyl-1,3-thiazol-2-yl)propan-1-amine
CID 63906927
1-(2-Methyl-1,3-thiazol-4-yl)cyclopropan-1-amine dihydrochloride
CID 132398736
2-(4-Ethyl-1,3-thiazol-2-yl)butan-2-amine dihydrochloride
CID 154832832
1-(2-Methyl-thiazol-4-yl)-cyclopropylamine
CID 55298082
2-(2-(Trifluoromethyl)thiazol-4-yl)propan-2-amine
CID 96864974
4-(1-Fluorocyclopropyl)-2-methyl-1,3-thiazole
CID 146290322
2-Tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole
CID 155202612
4-[1-(Fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole
CID 155207140
4-(1-Fluorocyclopropyl)-2-propan-2-yl-1,3-thiazole
CID 156046816
4-[1-(Fluoromethyl)cyclopropyl]-2-propan-2-yl-1,3-thiazole
CID 167065224

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine (CID 84775893) is 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine is CC(C)(F)c1nc(C2(N)CC2)cs1.
What is the InChIKey of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The InChIKey is ZJIORCMWJKVMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-8(2,10)7-12-6(5-13-7)9(11)3-4-9/h5H,3-4,11H2,1-2H3.
What are the key properties of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 84775893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).