N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide

C17H22N2OS — CID 146146044

IUPACN-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide
SMILESCc1nc(CCN(C=O)CC(C)(C)c2ccccc2)cs1
InChIInChI=1S/C17H22N2OS/c1-14-18-16(11-21-14)9-10-19(13-20)12-17(2,3)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeySFAZXLYFBSKEPT-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.43
Rot. Bonds7

About N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide

N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide (PubChem CID 146146044) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide
PubChem CID146146044
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide
SMILESCc1nc(CCN(C=O)CC(C)(C)c2ccccc2)cs1
InChIInChI=1S/C17H22N2OS/c1-14-18-16(11-21-14)9-10-19(13-20)12-17(2,3)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeySFAZXLYFBSKEPT-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.43
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

1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine
CID 62487917
(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol
CID 124758426
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 51308016
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
CID 103635624
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
2-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]benzoic acid
CID 104548760
2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzoic acid
CID 106036131
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylpropane-1,3-diamine
CID 106052557
N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104869995

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide (CID 146146044) is N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide is Cc1nc(CCN(C=O)CC(C)(C)c2ccccc2)cs1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide?
The InChIKey is SFAZXLYFBSKEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-14-18-16(11-21-14)9-10-19(13-20)12-17(2,3)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3.
What are the key properties of N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide?
N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide has a molecular weight of 302.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]formamide is sourced from PubChem (CID 146146044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).