[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

C13H21N3O2S — CID 103540374

IUPAC[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1CN(c2nc(C3CC3)c(CN)s2)CC1OC
InChIInChI=1S/C13H21N3O2S/c1-17-9-6-16(7-10(9)18-2)13-15-12(8-3-4-8)11(5-14)19-13/h8-10H,3-7,14H2,1-2H3
InChIKeyBPVMCMKAOUFAID-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.33
Rot. Bonds5

About [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 103540374) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID103540374
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1CN(c2nc(C3CC3)c(CN)s2)CC1OC
InChIInChI=1S/C13H21N3O2S/c1-17-9-6-16(7-10(9)18-2)13-15-12(8-3-4-8)11(5-14)19-13/h8-10H,3-7,14H2,1-2H3
InChIKeyBPVMCMKAOUFAID-UHFFFAOYSA-N
XLogP1.33
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-cyclopropyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 66370249
(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 63918102
[4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 103540379
[4-cyclopropyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916249
[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63917608
[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63916433
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 63915854
[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63915599
[2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 130548510
2-(3,4-dimethoxypyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103540256
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 102968507
[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916747

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 103540374) is [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is COC1CN(c2nc(C3CC3)c(CN)s2)CC1OC.
What is the InChIKey of [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BPVMCMKAOUFAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-17-9-6-16(7-10(9)18-2)13-15-12(8-3-4-8)11(5-14)19-13/h8-10H,3-7,14H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 283.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103540374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).