3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide

C12H14N4S2 — CID 114288408

IUPAC3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide
SMILESCc1nc(CN(C)c2cnccc2C(N)=S)cs1
InChIInChI=1S/C12H14N4S2/c1-8-15-9(7-18-8)6-16(2)11-5-14-4-3-10(11)12(13)17/h3-5,7H,6H2,1-2H3,(H2,13,17)
InChIKeyLADUXPFPZYKWKI-UHFFFAOYSA-N
MW278.41 g/mol
LogP2.12
Rot. Bonds4

About 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide

3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide (PubChem CID 114288408) has the molecular formula C12H14N4S2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide
PubChem CID114288408
Molecular FormulaC12H14N4S2
Molecular Weight278.41 g/mol
Exact Mass278.07
IUPAC Name3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide
SMILESCc1nc(CN(C)c2cnccc2C(N)=S)cs1
InChIInChI=1S/C12H14N4S2/c1-8-15-9(7-18-8)6-16(2)11-5-14-4-3-10(11)12(13)17/h3-5,7H,6H2,1-2H3,(H2,13,17)
InChIKeyLADUXPFPZYKWKI-UHFFFAOYSA-N
XLogP2.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide
CID 80511340
3-[2-hydroxyethyl(methyl)amino]pyridine-4-carbothioamide
CID 114288238
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 113269580
ethyl 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetate
CID 114288353
3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,3-diamine
CID 63062920
2-(aminomethyl)-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 62306932
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114288533
3-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 114288289
4-bromo-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 65342722
4-chloro-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468828
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
2-bromo-1-N,5-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,4-diamine
CID 114048222

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide?
The IUPAC name of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide (CID 114288408) is 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide.
What is the SMILES notation for 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide?
The canonical SMILES for 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide is Cc1nc(CN(C)c2cnccc2C(N)=S)cs1.
What is the InChIKey of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide?
The InChIKey is LADUXPFPZYKWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S2/c1-8-15-9(7-18-8)6-16(2)11-5-14-4-3-10(11)12(13)17/h3-5,7H,6H2,1-2H3,(H2,13,17).
What are the key properties of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide?
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide has a molecular weight of 278.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide is sourced from PubChem (CID 114288408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).