N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide

C17H22N2OS — CID 171108393

IUPACN-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
SMILESCc1ncsc1-c1ccc([C@H](C)N(C=O)C(C)(C)C)cc1
InChIInChI=1S/C17H22N2OS/c1-12-16(21-10-18-12)15-8-6-14(7-9-15)13(2)19(11-20)17(3,4)5/h6-11,13H,1-5H3/t13-/m0/s1
InChIKeyZCCZSBUFEKWMFG-ZDUSSCGKSA-N
MW302.44 g/mol
LogP4.44
Rot. Bonds4

About N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide

N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide (PubChem CID 171108393) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
PubChem CID171108393
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
SMILESCc1ncsc1-c1ccc([C@H](C)N(C=O)C(C)(C)C)cc1
InChIInChI=1S/C17H22N2OS/c1-12-16(21-10-18-12)15-8-6-14(7-9-15)13(2)19(11-20)17(3,4)5/h6-11,13H,1-5H3/t13-/m0/s1
InChIKeyZCCZSBUFEKWMFG-ZDUSSCGKSA-N
XLogP4.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole
CID 156886524
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
tert-butyl N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-6-oxohexyl]carbamate
CID 171104855
2-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]but-3-enyl]propane-2-sulfinamide
CID 171105161
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid
CID 175799858

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide?
The IUPAC name of N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide (CID 171108393) is N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide.
What is the SMILES notation for N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide?
The canonical SMILES for N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide is Cc1ncsc1-c1ccc([C@H](C)N(C=O)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide?
The InChIKey is ZCCZSBUFEKWMFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-16(21-10-18-12)15-8-6-14(7-9-15)13(2)19(11-20)17(3,4)5/h6-11,13H,1-5H3/t13-/m0/s1.
What are the key properties of N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide?
N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide has a molecular weight of 302.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide is sourced from PubChem (CID 171108393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).