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

C13H22N2OS — CID 116777911

IUPACN-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCC(C)(OC)c1nc(C)c(CNC2CC2)s1
InChIInChI=1S/C13H22N2OS/c1-5-13(3,16-4)12-15-9(2)11(17-12)8-14-10-6-7-10/h10,14H,5-8H2,1-4H3
InChIKeyOCQHDPUHMKVPHS-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.98
Rot. Bonds6

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

N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 116777911) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID116777911
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCC(C)(OC)c1nc(C)c(CNC2CC2)s1
InChIInChI=1S/C13H22N2OS/c1-5-13(3,16-4)12-15-9(2)11(17-12)8-14-10-6-7-10/h10,14H,5-8H2,1-4H3
InChIKeyOCQHDPUHMKVPHS-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777926
N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730572
N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730832
N-[[2-(2-methoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364619
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 62769172
N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 116777851
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104611822
[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361462
N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365238
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82425664

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 116777911) is N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCC(C)(OC)c1nc(C)c(CNC2CC2)s1.
What is the InChIKey of N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is OCQHDPUHMKVPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-13(3,16-4)12-15-9(2)11(17-12)8-14-10-6-7-10/h10,14H,5-8H2,1-4H3.
What are the key properties of N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 254.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116777911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).