(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide

C12H21N3OS — CID 94200145

IUPAC(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
SMILESC[C@H](C(=O)NC(C)(C)C)N(C)Cc1cscn1
InChIInChI=1S/C12H21N3OS/c1-9(11(16)14-12(2,3)4)15(5)6-10-7-17-8-13-10/h7-9H,6H2,1-5H3,(H,14,16)/t9-/m1/s1
InChIKeyLVWIBXPIUCLIRU-SECBINFHSA-N
MW255.39 g/mol
LogP1.88
Rot. Bonds4

About (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide

(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide (PubChem CID 94200145) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
PubChem CID94200145
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
SMILESC[C@H](C(=O)NC(C)(C)C)N(C)Cc1cscn1
InChIInChI=1S/C12H21N3OS/c1-9(11(16)14-12(2,3)4)15(5)6-10-7-17-8-13-10/h7-9H,6H2,1-5H3,(H,14,16)/t9-/m1/s1
InChIKeyLVWIBXPIUCLIRU-SECBINFHSA-N
XLogP1.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 47076191
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 79409328
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62425924
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 47076192
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 55011798
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
(2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 94182259

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide (CID 94200145) is (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide is C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cscn1.
What is the InChIKey of (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide?
The InChIKey is LVWIBXPIUCLIRU-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(11(16)14-12(2,3)4)15(5)6-10-7-17-8-13-10/h7-9H,6H2,1-5H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide?
(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide has a molecular weight of 255.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 94200145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).