5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide

C12H16N4O2S2 — CID 106031744

IUPAC5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)Nc2nccs2)nc1
InChIInChI=1S/C12H16N4O2S2/c1-9(2)14-7-10-3-4-11(15-8-10)20(17,18)16-12-13-5-6-19-12/h3-6,8-9,14H,7H2,1-2H3,(H,13,16)
InChIKeyZMANXROXZUWSAN-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.84
Rot. Bonds6

About 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide

5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide (PubChem CID 106031744) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
PubChem CID106031744
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)Nc2nccs2)nc1
InChIInChI=1S/C12H16N4O2S2/c1-9(2)14-7-10-3-4-11(15-8-10)20(17,18)16-12-13-5-6-19-12/h3-6,8-9,14H,7H2,1-2H3,(H,13,16)
InChIKeyZMANXROXZUWSAN-UHFFFAOYSA-N
XLogP1.84
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylaminomethyl)-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 114138839
4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106031631
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
2-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031780
2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031935
N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106064775
N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106026792
4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43506679
4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106031673
1-[3-(propan-2-ylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031633

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide (CID 106031744) is 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)Nc2nccs2)nc1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide?
The InChIKey is ZMANXROXZUWSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-9(2)14-7-10-3-4-11(15-8-10)20(17,18)16-12-13-5-6-19-12/h3-6,8-9,14H,7H2,1-2H3,(H,13,16).
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide?
5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 106031744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).