2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide

C18H25N3OS2 — CID 119267192

IUPAC2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
SMILESCCCc1ccc(-c2nc(NC(=O)C(N)CCSC)sc2C)cc1
InChIInChI=1S/C18H25N3OS2/c1-4-5-13-6-8-14(9-7-13)16-12(2)24-18(20-16)21-17(22)15(19)10-11-23-3/h6-9,15H,4-5,10-11,19H2,1-3H3,(H,20,21,22)
InChIKeyCRDARJIJVAXNPL-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.09
Rot. Bonds8

About 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide

2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide (PubChem CID 119267192) has the molecular formula C18H25N3OS2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
PubChem CID119267192
Molecular FormulaC18H25N3OS2
Molecular Weight363.55 g/mol
Exact Mass363.14
IUPAC Name2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
SMILESCCCc1ccc(-c2nc(NC(=O)C(N)CCSC)sc2C)cc1
InChIInChI=1S/C18H25N3OS2/c1-4-5-13-6-8-14(9-7-13)16-12(2)24-18(20-16)21-17(22)15(19)10-11-23-3/h6-9,15H,4-5,10-11,19H2,1-3H3,(H,20,21,22)
InChIKeyCRDARJIJVAXNPL-UHFFFAOYSA-N
XLogP4.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 119267011
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119955925
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 60523426
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 119266990
2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119681848
4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 120984258
(2R)-2-amino-N-(1,3-benzothiazol-2-yl)-4-methylsulfanylbutanamide
CID 104906860
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide
CID 173175208
trans-(1S,2S)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1231767
(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 104906853
2-chloro-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 34460359

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide (CID 119267192) is 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide is CCCc1ccc(-c2nc(NC(=O)C(N)CCSC)sc2C)cc1.
What is the InChIKey of 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide?
The InChIKey is CRDARJIJVAXNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS2/c1-4-5-13-6-8-14(9-7-13)16-12(2)24-18(20-16)21-17(22)15(19)10-11-23-3/h6-9,15H,4-5,10-11,19H2,1-3H3,(H,20,21,22).
What are the key properties of 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide?
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide has a molecular weight of 363.55 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119267192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).