N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine

C12H20F3N3S — CID 120966431

IUPACN',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
SMILESCc1nc(C(F)(F)F)c(CN(C)CC(C)(C)CN)s1
InChIInChI=1S/C12H20F3N3S/c1-8-17-10(12(13,14)15)9(19-8)5-18(4)7-11(2,3)6-16/h5-7,16H2,1-4H3
InChIKeyVNKVZGYGPLTYRM-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.89
Rot. Bonds5

About N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine

N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine (PubChem CID 120966431) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
PubChem CID120966431
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC NameN',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
SMILESCc1nc(C(F)(F)F)c(CN(C)CC(C)(C)CN)s1
InChIInChI=1S/C12H20F3N3S/c1-8-17-10(12(13,14)15)9(19-8)5-18(4)7-11(2,3)6-16/h5-7,16H2,1-4H3
InChIKeyVNKVZGYGPLTYRM-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Dimethyl-1,3-thiazol-5-yl)methanamine
CID 25219195
1-(2,4-Dimethyl-1,3-thiazol-5-yl)methanamine dihydrochloride
CID 46736898
Methyl((4-methyl-2-propyl-1,3-thiazol-5-yl)methyl)amine
CID 62402846
5-[(2,2-Dimethylazetidin-1-YL)methyl]-2,4-dimethyl-1,3-thiazole
CID 71857547
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
CID 71868855
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 121554106
(2-Methyl-4-(trifluoromethyl)thiazol-5-yl)methanamine
CID 53302302
2-Tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 59463959
4-Thiazolemethanamine, 2-methyl-5-(trifluoromethyl)-
CID 90018699
2-Methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 120965789
[4-(Fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 135163593
N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 141151742

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine (CID 120966431) is N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine is Cc1nc(C(F)(F)F)c(CN(C)CC(C)(C)CN)s1.
What is the InChIKey of N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine?
The InChIKey is VNKVZGYGPLTYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-8-17-10(12(13,14)15)9(19-8)5-18(4)7-11(2,3)6-16/h5-7,16H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine has a molecular weight of 295.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 120966431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).