4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine

C14H13Cl2N3S2 — CID 174183719

IUPAC4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine
SMILESCCCc1snc(NSc2c[nH]c3cc(Cl)ccc23)c1Cl
InChIInChI=1S/C14H13Cl2N3S2/c1-2-3-11-13(16)14(18-20-11)19-21-12-7-17-10-6-8(15)4-5-9(10)12/h4-7,17H,2-3H2,1H3,(H,18,19)
InChIKeyHOOMQZPSRCKMKE-UHFFFAOYSA-N
MW358.32 g/mol
LogP6.00
Rot. Bonds5

About 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine

4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine (PubChem CID 174183719) has the molecular formula C14H13Cl2N3S2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine
PubChem CID174183719
Molecular FormulaC14H13Cl2N3S2
Molecular Weight358.32 g/mol
Exact Mass356.99
IUPAC Name4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine
SMILESCCCc1snc(NSc2c[nH]c3cc(Cl)ccc23)c1Cl
InChIInChI=1S/C14H13Cl2N3S2/c1-2-3-11-13(16)14(18-20-11)19-21-12-7-17-10-6-8(15)4-5-9(10)12/h4-7,17H,2-3H2,1H3,(H,18,19)
InChIKeyHOOMQZPSRCKMKE-UHFFFAOYSA-N
XLogP6.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine?
The IUPAC name of 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine (CID 174183719) is 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine.
What is the SMILES notation for 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine?
The canonical SMILES for 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine is CCCc1snc(NSc2c[nH]c3cc(Cl)ccc23)c1Cl.
What is the InChIKey of 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine?
The InChIKey is HOOMQZPSRCKMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S2/c1-2-3-11-13(16)14(18-20-11)19-21-12-7-17-10-6-8(15)4-5-9(10)12/h4-7,17H,2-3H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine?
4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine has a molecular weight of 358.32 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine is sourced from PubChem (CID 174183719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).