[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea

C13H18N4O2S — CID 127920280

IUPAC[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea
SMILESCc1nc([C@H]2CCCN2C(=O)C2(NC(N)=O)CC2)cs1
InChIInChI=1S/C13H18N4O2S/c1-8-15-9(7-20-8)10-3-2-6-17(10)11(18)13(4-5-13)16-12(14)19/h7,10H,2-6H2,1H3,(H3,14,16,19)/t10-/m1/s1
InChIKeyMIWPBORIDVKASI-SNVBAGLBSA-N
MW294.38 g/mol
LogP1.32
Rot. Bonds3

About [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea

[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea (PubChem CID 127920280) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea.

Molecular Properties

Compound Name[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea
PubChem CID127920280
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea
SMILESCc1nc([C@H]2CCCN2C(=O)C2(NC(N)=O)CC2)cs1
InChIInChI=1S/C13H18N4O2S/c1-8-15-9(7-20-8)10-3-2-6-17(10)11(18)13(4-5-13)16-12(14)19/h7,10H,2-6H2,1H3,(H3,14,16,19)/t10-/m1/s1
InChIKeyMIWPBORIDVKASI-SNVBAGLBSA-N
XLogP1.32
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066037
(2S)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 124886957
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622225
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622224
(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 124626874
(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 124736836
1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone
CID 136533413
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
CID 127940351
N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 126794828
[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
CID 124873595
N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 166413666
1-[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984814

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea?
The IUPAC name of [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea (CID 127920280) is [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea.
What is the SMILES notation for [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea?
The canonical SMILES for [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea is Cc1nc([C@H]2CCCN2C(=O)C2(NC(N)=O)CC2)cs1.
What is the InChIKey of [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea?
The InChIKey is MIWPBORIDVKASI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8-15-9(7-20-8)10-3-2-6-17(10)11(18)13(4-5-13)16-12(14)19/h7,10H,2-6H2,1H3,(H3,14,16,19)/t10-/m1/s1.
What are the key properties of [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea?
[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea has a molecular weight of 294.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea is sourced from PubChem (CID 127920280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).