N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine

C16H17N3S — CID 115979513

IUPACN-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine
SMILESc1ncc(Cn2ccc3cc(CNC4CC4)ccc32)s1
InChIInChI=1S/C16H17N3S/c1-4-16-13(7-12(1)8-18-14-2-3-14)5-6-19(16)10-15-9-17-11-20-15/h1,4-7,9,11,14,18H,2-3,8,10H2
InChIKeyZJBODNAMCGOONP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.40
Rot. Bonds5

About N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine

N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine (PubChem CID 115979513) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine
PubChem CID115979513
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine
SMILESc1ncc(Cn2ccc3cc(CNC4CC4)ccc32)s1
InChIInChI=1S/C16H17N3S/c1-4-16-13(7-12(1)8-18-14-2-3-14)5-6-19(16)10-15-9-17-11-20-15/h1,4-7,9,11,14,18H,2-3,8,10H2
InChIKeyZJBODNAMCGOONP-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
CID 116619558
1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde
CID 102910657
1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
CID 107920256
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide
CID 102916232
N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine
CID 175826876
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
CID 102916925
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 102916244
3-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102916239
2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934445
1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 103792728
N-[[1-[2-(oxolan-2-yl)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 65165692
N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 102916924

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine (CID 115979513) is N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine is c1ncc(Cn2ccc3cc(CNC4CC4)ccc32)s1.
What is the InChIKey of N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine?
The InChIKey is ZJBODNAMCGOONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-4-16-13(7-12(1)8-18-14-2-3-14)5-6-19(16)10-15-9-17-11-20-15/h1,4-7,9,11,14,18H,2-3,8,10H2.
What are the key properties of N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine?
N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine has a molecular weight of 283.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115979513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).