(2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

C19H21N7O2S2 — CID 40963418

IUPAC(2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@H](Sc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)C(=O)Nc1nccs1
InChIInChI=1S/C19H21N7O2S2/c1-13(15(27)22-18-20-7-12-29-18)30-19-24-16(21-14-5-3-2-4-6-14)23-17(25-19)26-8-10-28-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,20,22,27)(H,21,23,24,25)/t13-/m0/s1
InChIKeyUZUXAPBTNRJWNX-ZDUSSCGKSA-N
MW443.56 g/mol
LogP3.03
Rot. Bonds7

About (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 40963418) has the molecular formula C19H21N7O2S2 and a molecular weight of 443.56 g/mol. Its IUPAC name is (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID40963418
Molecular FormulaC19H21N7O2S2
Molecular Weight443.56 g/mol
Exact Mass443.12
IUPAC Name(2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@H](Sc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)C(=O)Nc1nccs1
InChIInChI=1S/C19H21N7O2S2/c1-13(15(27)22-18-20-7-12-29-18)30-19-24-16(21-14-5-3-2-4-6-14)23-17(25-19)26-8-10-28-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,20,22,27)(H,21,23,24,25)/t13-/m0/s1
InChIKeyUZUXAPBTNRJWNX-ZDUSSCGKSA-N
XLogP3.03
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 650940
2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid
CID 4767594
(2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide
CID 1002161
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 126396260
N-(4-acetamidophenyl)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 126394751
2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 17017769
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 126394126
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 126397519
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
CID 1251793
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (CID 40963418) is (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is C[C@H](Sc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)C(=O)Nc1nccs1.
What is the InChIKey of (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UZUXAPBTNRJWNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N7O2S2/c1-13(15(27)22-18-20-7-12-29-18)30-19-24-16(21-14-5-3-2-4-6-14)23-17(25-19)26-8-10-28-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,20,22,27)(H,21,23,24,25)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 443.56 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 40963418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).