2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine

C14H16ClN3S — CID 133415553

IUPAC2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine
SMILESClc1cc(NCCc2nc3c(s2)CCCC3)ccn1
InChIInChI=1S/C14H16ClN3S/c15-13-9-10(5-7-17-13)16-8-6-14-18-11-3-1-2-4-12(11)19-14/h5,7,9H,1-4,6,8H2,(H,16,17)
InChIKeyPSTMKGNIPBOJKW-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine

2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine (PubChem CID 133415553) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine
PubChem CID133415553
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine
SMILESClc1cc(NCCc2nc3c(s2)CCCC3)ccn1
InChIInChI=1S/C14H16ClN3S/c15-13-9-10(5-7-17-13)16-8-6-14-18-11-3-1-2-4-12(11)19-14/h5,7,9H,1-4,6,8H2,(H,16,17)
InChIKeyPSTMKGNIPBOJKW-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]aniline
CID 94282036
4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine
CID 133415324
3-methyl-4-nitro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]aniline
CID 133415389
2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756472
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine
CID 103844205
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 135115677
2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133415436
1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine
CID 167879475
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 133415291
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 50974600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine (CID 133415553) is 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine is Clc1cc(NCCc2nc3c(s2)CCCC3)ccn1.
What is the InChIKey of 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine?
The InChIKey is PSTMKGNIPBOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-13-9-10(5-7-17-13)16-8-6-14-18-11-3-1-2-4-12(11)19-14/h5,7,9H,1-4,6,8H2,(H,16,17).
What are the key properties of 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine?
2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine has a molecular weight of 293.82 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 133415553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).