N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine

C13H20N2S — CID 107925898

IUPACN-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
SMILESCC1(C)CC1c1nc(CCNC2CC2)cs1
InChIInChI=1S/C13H20N2S/c1-13(2)7-11(13)12-15-10(8-16-12)5-6-14-9-3-4-9/h8-9,11,14H,3-7H2,1-2H3
InChIKeyZSRIOYLDFMVEPQ-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.95
Rot. Bonds5

About N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine

N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine (PubChem CID 107925898) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
PubChem CID107925898
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
SMILESCC1(C)CC1c1nc(CCNC2CC2)cs1
InChIInChI=1S/C13H20N2S/c1-13(2)7-11(13)12-15-10(8-16-12)5-6-14-9-3-4-9/h8-9,11,14H,3-7H2,1-2H3
InChIKeyZSRIOYLDFMVEPQ-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
CID 107924752
2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
CID 107924795
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107925558
N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 102929515
N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 114275792
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115716272
N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 114275622
3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 106039550
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115882093
N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
CID 66339547
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine (CID 107925898) is N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine is CC1(C)CC1c1nc(CCNC2CC2)cs1.
What is the InChIKey of N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The InChIKey is ZSRIOYLDFMVEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-13(2)7-11(13)12-15-10(8-16-12)5-6-14-9-3-4-9/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine has a molecular weight of 236.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 107925898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).