4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol

C10H14F3N3OS — CID 120962909

IUPAC4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)9-16-4-7(18-9)3-14-1-6-2-15-5-8(6)17/h4,6,8,14-15,17H,1-3,5H2
InChIKeyUIRRPKUDHGHUPK-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.83
Rot. Bonds4

About 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol

4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962909) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962909
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)9-16-4-7(18-9)3-14-1-6-2-15-5-8(6)17/h4,6,8,14-15,17H,1-3,5H2
InChIKeyUIRRPKUDHGHUPK-UHFFFAOYSA-N
XLogP0.83
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
1,1-Difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 103731527
3-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731562
3-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103741092
1,1-Difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol
CID 103793274
2,2-Difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 104857325
3-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857425
3-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857498
2,2-Difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 104857827
3-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 115684309
1,1,1-Trifluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol
CID 115732152
1,1,1-Trifluoro-3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 115777840

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol (CID 120962909) is 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is UIRRPKUDHGHUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)9-16-4-7(18-9)3-14-1-6-2-15-5-8(6)17/h4,6,8,14-15,17H,1-3,5H2.
What are the key properties of 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol?
4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 281.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).