(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide

C16H18F2N4O2S — CID 8801390

IUPAC(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@@H](NC(N)=O)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H18F2N4O2S/c1-8(2)5-12(20-15(19)24)14(23)22-16-21-13(7-25-16)9-3-4-10(17)11(18)6-9/h3-4,6-8,12H,5H2,1-2H3,(H3,19,20,24)(H,21,22,23)/t12-/m1/s1
InChIKeyCXGDLKMMKHSAMB-GFCCVEGCSA-N
MW368.41 g/mol
LogP3.11
Rot. Bonds6

About (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide

(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide (PubChem CID 8801390) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
PubChem CID8801390
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@@H](NC(N)=O)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H18F2N4O2S/c1-8(2)5-12(20-15(19)24)14(23)22-16-21-13(7-25-16)9-3-4-10(17)11(18)6-9/h3-4,6-8,12H,5H2,1-2H3,(H3,19,20,24)(H,21,22,23)/t12-/m1/s1
InChIKeyCXGDLKMMKHSAMB-GFCCVEGCSA-N
XLogP3.11
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] propanoate
CID 7851224
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 7775931
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
2-(carbamoylamino)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 78775310
[(2R)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pentanoate
CID 7790378
(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 9204302
N-[(2S)-4-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzamide
CID 139386620
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46692588
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 55432086
(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 155169077
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 51574615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide (CID 8801390) is (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide is CC(C)C[C@@H](NC(N)=O)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The InChIKey is CXGDLKMMKHSAMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c1-8(2)5-12(20-15(19)24)14(23)22-16-21-13(7-25-16)9-3-4-10(17)11(18)6-9/h3-4,6-8,12H,5H2,1-2H3,(H3,19,20,24)(H,21,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide has a molecular weight of 368.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide is sourced from PubChem (CID 8801390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).