3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol

C7H11F2N3OS — CID 106174712

IUPAC3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1c(N)nsc1NCC(F)(F)CO
InChIInChI=1S/C7H11F2N3OS/c1-4-5(10)12-14-6(4)11-2-7(8,9)3-13/h11,13H,2-3H2,1H3,(H2,10,12)
InChIKeyBYCUEIKGJWCUKD-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.07
Rot. Bonds4

About 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol

3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106174712) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106174712
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1c(N)nsc1NCC(F)(F)CO
InChIInChI=1S/C7H11F2N3OS/c1-4-5(10)12-14-6(4)11-2-7(8,9)3-13/h11,13H,2-3H2,1H3,(H2,10,12)
InChIKeyBYCUEIKGJWCUKD-UHFFFAOYSA-N
XLogP1.07
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361148
4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361718
4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103363598
5-N-(2,2-difluoroethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103364765
4-methyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364950
3-[(3-Amino-4-methyl-1,2-thiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105649913
3-Amino-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1,2-thiazole-4-carbonitrile
CID 105649925
3-[(3-Amino-4-methyl-1,2-thiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 105649936
3-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1,2-thiazole-4-carbonitrile
CID 105649947
5-N-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 105923621
3-[(3-Amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 106174700
3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 106174709

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol (CID 106174712) is 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol is Cc1c(N)nsc1NCC(F)(F)CO.
What is the InChIKey of 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is BYCUEIKGJWCUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c1-4-5(10)12-14-6(4)11-2-7(8,9)3-13/h11,13H,2-3H2,1H3,(H2,10,12).
What are the key properties of 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 223.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106174712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).