N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane

C16H21ClN4S2 — CID 177179695

IUPACN-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane
SMILESCC.CCCC1=C(c2csc(Nc3ccc(Cl)cn3)n2)SCN1
InChIInChI=1S/C14H15ClN4S2.C2H6/c1-2-3-10-13(21-8-17-10)11-7-20-14(18-11)19-12-5-4-9(15)6-16-12;1-2/h4-7,17H,2-3,8H2,1H3,(H,16,18,19);1-2H3
InChIKeyYYVGLZHFRWEYDZ-UHFFFAOYSA-N
MW368.96 g/mol
LogP5.72
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane

N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane (PubChem CID 177179695) has the molecular formula C16H21ClN4S2 and a molecular weight of 368.96 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane
PubChem CID177179695
Molecular FormulaC16H21ClN4S2
Molecular Weight368.96 g/mol
Exact Mass368.09
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane
SMILESCC.CCCC1=C(c2csc(Nc3ccc(Cl)cn3)n2)SCN1
InChIInChI=1S/C14H15ClN4S2.C2H6/c1-2-3-10-13(21-8-17-10)11-7-20-14(18-11)19-12-5-4-9(15)6-16-12;1-2/h4-7,17H,2-3,8H2,1H3,(H,16,18,19);1-2H3
InChIKeyYYVGLZHFRWEYDZ-UHFFFAOYSA-N
XLogP5.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.96
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane (CID 177179695) is N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane is CC.CCCC1=C(c2csc(Nc3ccc(Cl)cn3)n2)SCN1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane?
The InChIKey is YYVGLZHFRWEYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S2.C2H6/c1-2-3-10-13(21-8-17-10)11-7-20-14(18-11)19-12-5-4-9(15)6-16-12;1-2/h4-7,17H,2-3,8H2,1H3,(H,16,18,19);1-2H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane?
N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane has a molecular weight of 368.96 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane is sourced from PubChem (CID 177179695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).