3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine

C10H10F2N4S — CID 114074457

IUPAC3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
SMILESCc1ncsc1CNc1nc(N)c(F)cc1F
InChIInChI=1S/C10H10F2N4S/c1-5-8(17-4-15-5)3-14-10-7(12)2-6(11)9(13)16-10/h2,4H,3H2,1H3,(H3,13,14,16)
InChIKeyPGHSSSMMPVIKLC-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.32
Rot. Bonds3

About 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine

3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine (PubChem CID 114074457) has the molecular formula C10H10F2N4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
PubChem CID114074457
Molecular FormulaC10H10F2N4S
Molecular Weight256.28 g/mol
Exact Mass256.06
IUPAC Name3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
SMILESCc1ncsc1CNc1nc(N)c(F)cc1F
InChIInChI=1S/C10H10F2N4S/c1-5-8(17-4-15-5)3-14-10-7(12)2-6(11)9(13)16-10/h2,4H,3H2,1H3,(H3,13,14,16)
InChIKeyPGHSSSMMPVIKLC-UHFFFAOYSA-N
XLogP2.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327697
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280983
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679
2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
CID 63280783
2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80934420
5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975652
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
4-amino-2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63280248
6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80829595
2-tert-butyl-6-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80984747

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine (CID 114074457) is 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine is Cc1ncsc1CNc1nc(N)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine?
The InChIKey is PGHSSSMMPVIKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4S/c1-5-8(17-4-15-5)3-14-10-7(12)2-6(11)9(13)16-10/h2,4H,3H2,1H3,(H3,13,14,16).
What are the key properties of 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine?
3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine has a molecular weight of 256.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 114074457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).