N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C13H17N3S2 — CID 62436984

IUPACN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESNCc1nc(CN(Cc2ccsc2)C2CC2)cs1
InChIInChI=1S/C13H17N3S2/c14-5-13-15-11(9-18-13)7-16(12-1-2-12)6-10-3-4-17-8-10/h3-4,8-9,12H,1-2,5-7,14H2
InChIKeyBQJYULBUYWGFDK-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.83
Rot. Bonds6

About N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 62436984) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID62436984
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESNCc1nc(CN(Cc2ccsc2)C2CC2)cs1
InChIInChI=1S/C13H17N3S2/c14-5-13-15-11(9-18-13)7-16(12-1-2-12)6-10-3-4-17-8-10/h3-4,8-9,12H,1-2,5-7,14H2
InChIKeyBQJYULBUYWGFDK-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583083
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243021
4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484067
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 106906235
N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 47053893
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 80609529
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
CID 61439572
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 62436984) is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is NCc1nc(CN(Cc2ccsc2)C2CC2)cs1.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is BQJYULBUYWGFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c14-5-13-15-11(9-18-13)7-16(12-1-2-12)6-10-3-4-17-8-10/h3-4,8-9,12H,1-2,5-7,14H2.
What are the key properties of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 279.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62436984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).