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

C16H20BrN3S — CID 114363130

IUPACN-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(-c2ncccc2Br)sc1CNC1CC1
InChIInChI=1S/C16H20BrN3S/c1-16(2,3)14-12(9-19-10-6-7-10)21-15(20-14)13-11(17)5-4-8-18-13/h4-5,8,10,19H,6-7,9H2,1-3H3
InChIKeyPVBOSMDXOXMZKT-UHFFFAOYSA-N
MW366.33 g/mol
LogP4.52
Rot. Bonds4

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

N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114363130) has the molecular formula C16H20BrN3S and a molecular weight of 366.33 g/mol. Its IUPAC name is N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114363130
Molecular FormulaC16H20BrN3S
Molecular Weight366.33 g/mol
Exact Mass365.06
IUPAC NameN-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(-c2ncccc2Br)sc1CNC1CC1
InChIInChI=1S/C16H20BrN3S/c1-16(2,3)14-12(9-19-10-6-7-10)21-15(20-14)13-11(17)5-4-8-18-13/h4-5,8,10,19H,6-7,9H2,1-3H3
InChIKeyPVBOSMDXOXMZKT-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362305
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
N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103445237
N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363211
N-[[4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363274
N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841874
1-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362442
N-[[2-(3-ethyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365516
N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367781
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363304

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114363130) is N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC(C)(C)c1nc(-c2ncccc2Br)sc1CNC1CC1.
What is the InChIKey of N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is PVBOSMDXOXMZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3S/c1-16(2,3)14-12(9-19-10-6-7-10)21-15(20-14)13-11(17)5-4-8-18-13/h4-5,8,10,19H,6-7,9H2,1-3H3.
What are the key properties of N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 366.33 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114363130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).