4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

C20H24Cl2N2S — CID 19374892

IUPAC4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(C1CC1)C1CC1
InChIInChI=1S/C20H24Cl2N2S/c1-3-10-24(19(13-4-5-13)14-6-7-14)20-23-18(12(2)25-20)16-9-8-15(21)11-17(16)22/h8-9,11,13-14,19H,3-7,10H2,1-2H3
InChIKeyQVOSAVUKSNVCKR-UHFFFAOYSA-N
MW395.40 g/mol
LogP6.83
Rot. Bonds7

About 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 19374892) has the molecular formula C20H24Cl2N2S and a molecular weight of 395.40 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID19374892
Molecular FormulaC20H24Cl2N2S
Molecular Weight395.40 g/mol
Exact Mass394.10
IUPAC Name4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(C1CC1)C1CC1
InChIInChI=1S/C20H24Cl2N2S/c1-3-10-24(19(13-4-5-13)14-6-7-14)20-23-18(12(2)25-20)16-9-8-15(21)11-17(16)22/h8-9,11,13-14,19H,3-7,10H2,1-2H3
InChIKeyQVOSAVUKSNVCKR-UHFFFAOYSA-N
XLogP6.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.40
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (CID 19374892) is 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(C1CC1)C1CC1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is QVOSAVUKSNVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2S/c1-3-10-24(19(13-4-5-13)14-6-7-14)20-23-18(12(2)25-20)16-9-8-15(21)11-17(16)22/h8-9,11,13-14,19H,3-7,10H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 395.40 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 19374892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).