(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

C14H18N4OS — CID 119839191

IUPAC(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C14H18N4OS/c1-9(15)13(19)16-10-4-5-11-12(8-10)20-14(17-11)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyVYTFAXRZYJRMQK-SECBINFHSA-N
MW290.39 g/mol
LogP2.18
Rot. Bonds3

About (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 119839191) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
PubChem CID119839191
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C14H18N4OS/c1-9(15)13(19)16-10-4-5-11-12(8-10)20-14(17-11)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyVYTFAXRZYJRMQK-SECBINFHSA-N
XLogP2.18
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pentanamide;dihydrochloride
CID 119839224
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 119839211
(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 34186868
(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide
CID 119317979
2-bromo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42013873
N-[4-methylsulfanyl-1-oxo-1-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]butan-2-yl]benzamide
CID 24613109
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
3-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119839175
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide (CID 119839191) is (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide is C[C@@H](N)C(=O)Nc1ccc2nc(N3CCCC3)sc2c1.
What is the InChIKey of (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is VYTFAXRZYJRMQK-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(15)13(19)16-10-4-5-11-12(8-10)20-14(17-11)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,19)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide?
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 119839191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).