(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide

C17H23N5O3S — CID 34186868

IUPAC(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
SMILESCC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C17H23N5O3S/c1-10(2)14(21-16(18)24)15(23)19-11-3-4-12-13(9-11)26-17(20-12)22-5-7-25-8-6-22/h3-4,9-10,14H,5-8H2,1-2H3,(H,19,23)(H3,18,21,24)/t14-/m1/s1
InChIKeyNQYQADUOFCWWRA-CQSZACIVSA-N
MW377.47 g/mol
LogP1.76
Rot. Bonds5

About (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide

(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide (PubChem CID 34186868) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
PubChem CID34186868
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
SMILESCC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C17H23N5O3S/c1-10(2)14(21-16(18)24)15(23)19-11-3-4-12-13(9-11)26-17(20-12)22-5-7-25-8-6-22/h3-4,9-10,14H,5-8H2,1-2H3,(H,19,23)(H3,18,21,24)/t14-/m1/s1
InChIKeyNQYQADUOFCWWRA-CQSZACIVSA-N
XLogP1.76
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[3-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-1-oxobutan-2-yl]carbamate
CID 167839353
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CID 119833426
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexa-2,4-dienamide
CID 74551313
2-(3-chlorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 42917725
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pentanamide;dihydrochloride
CID 119839224
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide (CID 34186868) is (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide is CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
The InChIKey is NQYQADUOFCWWRA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-10(2)14(21-16(18)24)15(23)19-11-3-4-12-13(9-11)26-17(20-12)22-5-7-25-8-6-22/h3-4,9-10,14H,5-8H2,1-2H3,(H,19,23)(H3,18,21,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide has a molecular weight of 377.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide is sourced from PubChem (CID 34186868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).