N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine

C19H23N7OS — CID 15979634

IUPACN'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C19H23N7OS/c20-2-4-22-15-9-14(11-21-12-15)17-13-24-19(28-17)25-18-10-16(1-3-23-18)26-5-7-27-8-6-26/h1,3,9-13,22H,2,4-8,20H2,(H,23,24,25)
InChIKeyUGFZLVVAQWWVJL-UHFFFAOYSA-N
MW397.51 g/mol
LogP2.55
Rot. Bonds7

About N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine

N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine (PubChem CID 15979634) has the molecular formula C19H23N7OS and a molecular weight of 397.51 g/mol. Its IUPAC name is N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine
PubChem CID15979634
Molecular FormulaC19H23N7OS
Molecular Weight397.51 g/mol
Exact Mass397.17
IUPAC NameN'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C19H23N7OS/c20-2-4-22-15-9-14(11-21-12-15)17-13-24-19(28-17)25-18-10-16(1-3-23-18)26-5-7-27-8-6-26/h1,3,9-13,22H,2,4-8,20H2,(H,23,24,25)
InChIKeyUGFZLVVAQWWVJL-UHFFFAOYSA-N
XLogP2.55
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine (CID 15979634) is N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine is NCCNc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.
What is the InChIKey of N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine?
The InChIKey is UGFZLVVAQWWVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS/c20-2-4-22-15-9-14(11-21-12-15)17-13-24-19(28-17)25-18-10-16(1-3-23-18)26-5-7-27-8-6-26/h1,3,9-13,22H,2,4-8,20H2,(H,23,24,25).
What are the key properties of N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine?
N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine has a molecular weight of 397.51 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 15979634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).