(2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide

C19H17F2N5O3S — CID 166792564

IUPAC(2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
SMILESCOc1ccc(C(=O)c2sc(N(c3ccc(F)c(F)c3)[C@@H](C)C(N)=O)nc2N)cn1
InChIInChI=1S/C19H17F2N5O3S/c1-9(18(23)28)26(11-4-5-12(20)13(21)7-11)19-25-17(22)16(30-19)15(27)10-3-6-14(29-2)24-8-10/h3-9H,22H2,1-2H3,(H2,23,28)/t9-/m0/s1
InChIKeyGIPRRYZHOWUKAY-VIFPVBQESA-N
MW433.44 g/mol
LogP2.65
Rot. Bonds7

About (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide

(2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide (PubChem CID 166792564) has the molecular formula C19H17F2N5O3S and a molecular weight of 433.44 g/mol. Its IUPAC name is (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide.

Molecular Properties

Compound Name(2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
PubChem CID166792564
Molecular FormulaC19H17F2N5O3S
Molecular Weight433.44 g/mol
Exact Mass433.10
IUPAC Name(2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
SMILESCOc1ccc(C(=O)c2sc(N(c3ccc(F)c(F)c3)[C@@H](C)C(N)=O)nc2N)cn1
InChIInChI=1S/C19H17F2N5O3S/c1-9(18(23)28)26(11-4-5-12(20)13(21)7-11)19-25-17(22)16(30-19)15(27)10-3-6-14(29-2)24-8-10/h3-9H,22H2,1-2H3,(H2,23,28)/t9-/m0/s1
InChIKeyGIPRRYZHOWUKAY-VIFPVBQESA-N
XLogP2.65
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-[[2-[2-(dimethylamino)ethylamino]acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11307354
2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11341113
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-methoxyphenyl)methanone
CID 18521811
6-[[4-[amino-(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 46943027
(4-Amino-2-(pyridin-4-ylamino)thiazol-5-yl)(4-methoxyphenyl)methanone
CID 54580334
(4-Amino-2-(pyridin-2-ylamino)thiazol-5-yl)(3-methoxyphenyl)methanone
CID 54582363
(4-Amino-2-(pyridin-2-ylamino)thiazol-5-yl)(2-methoxyphenyl)methanone
CID 54583339
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(3-methoxyphenyl)methanone
CID 54583342
(4-Amino-2-(pyridin-4-ylamino)thiazol-5-yl)(2-methoxyphenyl)methanone
CID 54583343
(4-Amino-2-(pyridin-4-ylamino)thiazol-5-yl)(3-methoxyphenyl)methanone
CID 54587239
Benzamide, 4-methoxy-N-[4-phenyl-5-(2-pyridinylcarbonyl)-2-thiazolyl]-
CID 72197342
N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155564398

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide?
The IUPAC name of (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide (CID 166792564) is (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide.
What is the SMILES notation for (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide?
The canonical SMILES for (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide is COc1ccc(C(=O)c2sc(N(c3ccc(F)c(F)c3)[C@@H](C)C(N)=O)nc2N)cn1.
What is the InChIKey of (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide?
The InChIKey is GIPRRYZHOWUKAY-VIFPVBQESA-N. The full InChI is InChI=1S/C19H17F2N5O3S/c1-9(18(23)28)26(11-4-5-12(20)13(21)7-11)19-25-17(22)16(30-19)15(27)10-3-6-14(29-2)24-8-10/h3-9H,22H2,1-2H3,(H2,23,28)/t9-/m0/s1.
What are the key properties of (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide?
(2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide has a molecular weight of 433.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide is sourced from PubChem (CID 166792564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).