N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine

C12H20N2S — CID 66024019

IUPACN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCc1nc(CC2(CNC(C)C)CC2)cs1
InChIInChI=1S/C12H20N2S/c1-9(2)13-8-12(4-5-12)6-11-7-15-10(3)14-11/h7,9,13H,4-6,8H2,1-3H3
InChIKeyCIPSEISGSZQOFB-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.77
Rot. Bonds5

About N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66024019) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66024019
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCc1nc(CC2(CNC(C)C)CC2)cs1
InChIInChI=1S/C12H20N2S/c1-9(2)13-8-12(4-5-12)6-11-7-15-10(3)14-11/h7,9,13H,4-6,8H2,1-3H3
InChIKeyCIPSEISGSZQOFB-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine with MolForge

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Related Compounds

[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methanol
CID 66024342
[3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine
CID 164652953
N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105159068
1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde
CID 130712451
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365476
2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 131162805
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methanol
CID 66058593
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554956
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024242
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66024019) is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine is Cc1nc(CC2(CNC(C)C)CC2)cs1.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is CIPSEISGSZQOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)13-8-12(4-5-12)6-11-7-15-10(3)14-11/h7,9,13H,4-6,8H2,1-3H3.
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66024019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).