formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide

C16H22N4O3S — CID 154912967

IUPACformic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nccs1)N(C)Cc1ccnc(C)c1.O=CO
InChIInChI=1S/C15H20N4OS.CH2O2/c1-4-13(14(20)18-15-17-7-8-21-15)19(3)10-12-5-6-16-11(2)9-12;2-1-3/h5-9,13H,4,10H2,1-3H3,(H,17,18,20);1H,(H,2,3)
InChIKeyBFLZRKDXVVMWKH-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.40
Rot. Bonds6

About formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide

formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 154912967) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Nameformic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID154912967
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Nameformic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nccs1)N(C)Cc1ccnc(C)c1.O=CO
InChIInChI=1S/C15H20N4OS.CH2O2/c1-4-13(14(20)18-15-17-7-8-21-15)19(3)10-12-5-6-16-11(2)9-12;2-1-3/h5-9,13H,4,10H2,1-3H3,(H,17,18,20);1H,(H,2,3)
InChIKeyBFLZRKDXVVMWKH-UHFFFAOYSA-N
XLogP2.40
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide
CID 134714053
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 17034258
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134036
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 977043

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide (CID 154912967) is formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide is CCC(C(=O)Nc1nccs1)N(C)Cc1ccnc(C)c1.O=CO.
What is the InChIKey of formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is BFLZRKDXVVMWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS.CH2O2/c1-4-13(14(20)18-15-17-7-8-21-15)19(3)10-12-5-6-16-11(2)9-12;2-1-3/h5-9,13H,4,10H2,1-3H3,(H,17,18,20);1H,(H,2,3).
What are the key properties of formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide?
formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 350.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 154912967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).