2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide

C14H15N5OS — CID 67510273

IUPAC2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide
SMILESCc1cc(Nc2cc(NC(C)C(N)=O)ccc2C#N)sn1
InChIInChI=1S/C14H15N5OS/c1-8-5-13(21-19-8)18-12-6-11(4-3-10(12)7-15)17-9(2)14(16)20/h3-6,9,17-18H,1-2H3,(H2,16,20)
InChIKeyUSGWBXIFNIEOMB-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.35
Rot. Bonds5

About 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide

2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide (PubChem CID 67510273) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide.

Molecular Properties

Compound Name2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide
PubChem CID67510273
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide
SMILESCc1cc(Nc2cc(NC(C)C(N)=O)ccc2C#N)sn1
InChIInChI=1S/C14H15N5OS/c1-8-5-13(21-19-8)18-12-6-11(4-3-10(12)7-15)17-9(2)14(16)20/h3-6,9,17-18H,1-2H3,(H2,16,20)
InChIKeyUSGWBXIFNIEOMB-UHFFFAOYSA-N
XLogP2.35
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-cyano-3-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-4-methylpentanamide
CID 67510115
2-[(3-methyl-1,2-thiazol-5-yl)amino]-4-[[(3R)-2-oxoazepan-3-yl]amino]benzonitrile
CID 129386263
(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide
CID 67508724
2-[(2-cyano-4-pyridinyl)amino]propanamide
CID 62926737
2-[[5-cyano-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-2-yl]-methylamino]butanamide
CID 123215768
2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide
CID 166208993
2-(4-nitroanilino)propanamide
CID 43400796
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
CID 114001769
N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 87426916
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
CID 107276659
(2R)-2-(3-chloroanilino)propanamide;hydrochloride
CID 164755970
4-[[(2R)-1-amino-3-(2-fluorophenyl)-1-oxopropan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 67514822

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide?
The IUPAC name of 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide (CID 67510273) is 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide.
What is the SMILES notation for 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide?
The canonical SMILES for 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide is Cc1cc(Nc2cc(NC(C)C(N)=O)ccc2C#N)sn1.
What is the InChIKey of 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide?
The InChIKey is USGWBXIFNIEOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-5-13(21-19-8)18-12-6-11(4-3-10(12)7-15)17-9(2)14(16)20/h3-6,9,17-18H,1-2H3,(H2,16,20).
What are the key properties of 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide?
2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide has a molecular weight of 301.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide is sourced from PubChem (CID 67510273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).