N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine

C18H18N4S — CID 174338579

IUPACN-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1ccc2[nH]c3c(CCN)cc(Nc4nccs4)cc3c2c1
InChIInChI=1S/C18H18N4S/c1-11-2-3-16-14(8-11)15-10-13(21-18-20-6-7-23-18)9-12(4-5-19)17(15)22-16/h2-3,6-10,22H,4-5,19H2,1H3,(H,20,21)
InChIKeyLQAOYWBZICGIHS-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.33
Rot. Bonds4

About N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine

N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 174338579) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine
PubChem CID174338579
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC NameN-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1ccc2[nH]c3c(CCN)cc(Nc4nccs4)cc3c2c1
InChIInChI=1S/C18H18N4S/c1-11-2-3-16-14(8-11)15-10-13(21-18-20-6-7-23-18)9-12(4-5-19)17(15)22-16/h2-3,6-10,22H,4-5,19H2,1H3,(H,20,21)
InChIKeyLQAOYWBZICGIHS-UHFFFAOYSA-N
XLogP4.33
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine (CID 174338579) is N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine is Cc1ccc2[nH]c3c(CCN)cc(Nc4nccs4)cc3c2c1.
What is the InChIKey of N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is LQAOYWBZICGIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S/c1-11-2-3-16-14(8-11)15-10-13(21-18-20-6-7-23-18)9-12(4-5-19)17(15)22-16/h2-3,6-10,22H,4-5,19H2,1H3,(H,20,21).
What are the key properties of N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine?
N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 322.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 174338579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).