N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H26N2S2 — CID 114363196

IUPACN-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(C2CCCCS2)sc1CNC1CC1
InChIInChI=1S/C16H26N2S2/c1-16(2,3)14-13(10-17-11-7-8-11)20-15(18-14)12-6-4-5-9-19-12/h11-12,17H,4-10H2,1-3H3
InChIKeyNBCCUDTYLGJNQO-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.65
Rot. Bonds4

About N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114363196) has the molecular formula C16H26N2S2 and a molecular weight of 310.53 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114363196
Molecular FormulaC16H26N2S2
Molecular Weight310.53 g/mol
Exact Mass310.15
IUPAC NameN-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(C2CCCCS2)sc1CNC1CC1
InChIInChI=1S/C16H26N2S2/c1-16(2,3)14-13(10-17-11-7-8-11)20-15(18-14)12-6-4-5-9-19-12/h11-12,17H,4-10H2,1-3H3
InChIKeyNBCCUDTYLGJNQO-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363304
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[4-ethyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842194
N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114362515
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 115987940
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438334
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767757
N-[[4-(2-methylpropyl)-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369110
N-[[4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363274
N-butyl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62765870

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114363196) is N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC(C)(C)c1nc(C2CCCCS2)sc1CNC1CC1.
What is the InChIKey of N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is NBCCUDTYLGJNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S2/c1-16(2,3)14-13(10-17-11-7-8-11)20-15(18-14)12-6-4-5-9-19-12/h11-12,17H,4-10H2,1-3H3.
What are the key properties of N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 310.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114363196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).