(2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide

C12H19FN4O2S — CID 124873559

IUPAC(2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide
SMILESCC[C@H](NC(=O)N[C@H](C)C(=O)NCCF)c1nccs1
InChIInChI=1S/C12H19FN4O2S/c1-3-9(11-15-6-7-20-11)17-12(19)16-8(2)10(18)14-5-4-13/h6-9H,3-5H2,1-2H3,(H,14,18)(H2,16,17,19)/t8-,9+/m1/s1
InChIKeyKLZWJBUYLXRCDU-BDAKNGLRSA-N
MW302.38 g/mol
LogP1.37
Rot. Bonds7

About (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide

(2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide (PubChem CID 124873559) has the molecular formula C12H19FN4O2S and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide
PubChem CID124873559
Molecular FormulaC12H19FN4O2S
Molecular Weight302.38 g/mol
Exact Mass302.12
IUPAC Name(2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide
SMILESCC[C@H](NC(=O)N[C@H](C)C(=O)NCCF)c1nccs1
InChIInChI=1S/C12H19FN4O2S/c1-3-9(11-15-6-7-20-11)17-12(19)16-8(2)10(18)14-5-4-13/h6-9H,3-5H2,1-2H3,(H,14,18)(H2,16,17,19)/t8-,9+/m1/s1
InChIKeyKLZWJBUYLXRCDU-BDAKNGLRSA-N
XLogP1.37
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide with MolForge

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Related Compounds

(S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-2-ureido-butyramide
CID 44453367
N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide
CID 47076630
1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56818955
1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 56821751
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71986715
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 71990369
N-(methylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 72114766
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide?
The IUPAC name of (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide (CID 124873559) is (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide is CC[C@H](NC(=O)N[C@H](C)C(=O)NCCF)c1nccs1.
What is the InChIKey of (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide?
The InChIKey is KLZWJBUYLXRCDU-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H19FN4O2S/c1-3-9(11-15-6-7-20-11)17-12(19)16-8(2)10(18)14-5-4-13/h6-9H,3-5H2,1-2H3,(H,14,18)(H2,16,17,19)/t8-,9+/m1/s1.
What are the key properties of (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide?
(2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide is sourced from PubChem (CID 124873559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).