N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H20ClN3S — CID 114369537

IUPACN-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1nc(-c2ccc(Cl)cn2)sc1CNC1CC1
InChIInChI=1S/C16H20ClN3S/c1-10(2)7-14-15(9-18-12-4-5-12)21-16(20-14)13-6-3-11(17)8-19-13/h3,6,8,10,12,18H,4-5,7,9H2,1-2H3
InChIKeySGBNMSUBZQBZEY-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.31
Rot. Bonds6

About N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114369537) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114369537
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC NameN-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1nc(-c2ccc(Cl)cn2)sc1CNC1CC1
InChIInChI=1S/C16H20ClN3S/c1-10(2)7-14-15(9-18-12-4-5-12)21-16(20-14)13-6-3-11(17)8-19-13/h3,6,8,10,12,18H,4-5,7,9H2,1-2H3
InChIKeySGBNMSUBZQBZEY-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[2-(2-chlorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369395
N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369512
N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367264
1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364911
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369417
N-[[2-(4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369404
N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428658
2-methyl-N-[[4-(2-methylpropyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369660
N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369520
N-[[4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363274
N-[[4-(2-methylpropyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369268
1-[4-tert-butyl-2-(5-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362493

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114369537) is N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC(C)Cc1nc(-c2ccc(Cl)cn2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is SGBNMSUBZQBZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-10(2)7-14-15(9-18-12-4-5-12)21-16(20-14)13-6-3-11(17)8-19-13/h3,6,8,10,12,18H,4-5,7,9H2,1-2H3.
What are the key properties of N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 321.88 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114369537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).