(4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid

C19H23F2N5O3S — CID 139300520

IUPAC(4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid
SMILESCc1csc(C2CN(c3cc(N(C(=O)O)C4CCC(F)(F)CC4)ncn3)CCO2)n1
InChIInChI=1S/C19H23F2N5O3S/c1-12-10-30-17(24-12)14-9-25(6-7-29-14)15-8-16(23-11-22-15)26(18(27)28)13-2-4-19(20,21)5-3-13/h8,10-11,13-14H,2-7,9H2,1H3,(H,27,28)
InChIKeyOOLQMDSLIWLLBB-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.88
Rot. Bonds4

About (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid

(4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid (PubChem CID 139300520) has the molecular formula C19H23F2N5O3S and a molecular weight of 439.49 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid
PubChem CID139300520
Molecular FormulaC19H23F2N5O3S
Molecular Weight439.49 g/mol
Exact Mass439.15
IUPAC Name(4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid
SMILESCc1csc(C2CN(c3cc(N(C(=O)O)C4CCC(F)(F)CC4)ncn3)CCO2)n1
InChIInChI=1S/C19H23F2N5O3S/c1-12-10-30-17(24-12)14-9-25(6-7-29-14)15-8-16(23-11-22-15)26(18(27)28)13-2-4-19(20,21)5-3-13/h8,10-11,13-14H,2-7,9H2,1H3,(H,27,28)
InChIKeyOOLQMDSLIWLLBB-UHFFFAOYSA-N
XLogP3.88
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300552
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
CID 95138385
4-(2-methyl-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133464291
4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 126803952
(2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 97073743
[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-(4,4-difluorocyclohexyl)carbamic acid
CID 134510602
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 166190766
N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
CID 95138708
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95135990
4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133389470
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 136540841
2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95137831

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid?
The IUPAC name of (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid (CID 139300520) is (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid?
The canonical SMILES for (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid is Cc1csc(C2CN(c3cc(N(C(=O)O)C4CCC(F)(F)CC4)ncn3)CCO2)n1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid?
The InChIKey is OOLQMDSLIWLLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O3S/c1-12-10-30-17(24-12)14-9-25(6-7-29-14)15-8-16(23-11-22-15)26(18(27)28)13-2-4-19(20,21)5-3-13/h8,10-11,13-14H,2-7,9H2,1H3,(H,27,28).
What are the key properties of (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid?
(4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid has a molecular weight of 439.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid is sourced from PubChem (CID 139300520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).