N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C16H30N2S — CID 114369727

IUPACN-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)Cc1nc(CC(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H30N2S/c1-11(2)8-13-14(10-17-16(5,6)7)19-15(18-13)9-12(3)4/h11-12,17H,8-10H2,1-7H3
InChIKeyOLRJWQKEKWTKMF-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.43
Rot. Bonds6

About N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114369727) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114369727
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)Cc1nc(CC(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H30N2S/c1-11(2)8-13-14(10-17-16(5,6)7)19-15(18-13)9-12(3)4/h11-12,17H,8-10H2,1-7H3
InChIKeyOLRJWQKEKWTKMF-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369718
N-[[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369734
2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369789
2-methyl-N-[[4-(2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369705
2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369670
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
2-methyl-N-[[4-(2-methylpropyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369660
N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368564
2-methyl-N-[[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369758
N-[[2-(2,2-dimethylpropyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104841999
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 104841978

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114369727) is N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)Cc1nc(CC(C)C)c(CNC(C)(C)C)s1.
What is the InChIKey of N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OLRJWQKEKWTKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-11(2)8-13-14(10-17-16(5,6)7)19-15(18-13)9-12(3)4/h11-12,17H,8-10H2,1-7H3.
What are the key properties of N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114369727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).