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

C18H18N2S — CID 61333875

IUPACN-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cccc3ccccc23)n1
InChIInChI=1S/C18H18N2S/c1-12-11-21-18(19-12)17(20-14-9-10-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,11,14,17,20H,9-10H2,1H3
InChIKeyLYSAPSGKCKRPAC-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.45
Rot. Bonds4

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

N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine (PubChem CID 61333875) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine
PubChem CID61333875
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cccc3ccccc23)n1
InChIInChI=1S/C18H18N2S/c1-12-11-21-18(19-12)17(20-14-9-10-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,11,14,17,20H,9-10H2,1H3
InChIKeyLYSAPSGKCKRPAC-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine (CID 61333875) is N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine is Cc1csc(C(NC2CC2)c2cccc3ccccc23)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine?
The InChIKey is LYSAPSGKCKRPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-11-21-18(19-12)17(20-14-9-10-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,11,14,17,20H,9-10H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine?
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine has a molecular weight of 294.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine is sourced from PubChem (CID 61333875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).